USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 815 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 GLN : amide:sc= 0 K(o=-0.13,f=-0.75) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.8!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 15 GLN : amide:sc= 0.234 K(o=0.23,f=-0.9) USER MOD Single : A 17 HIS : no HE2:sc= 0.124 K(o=0.12,f=-0.8) USER MOD Single : A 20 GLN : amide:sc= -0.0879 X(o=-0.088,f=-0.51) USER MOD Single : A 26 TYR OH : rot 180:sc=-0.00777 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0.981 (180deg=0.695) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 75 TYR OH : rot 0:sc= -0.48 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 1.21 K(o=1.2,f=-0.64) USER MOD Single : A 88 LYS NZ :NH3+ -160:sc= -0.042 (180deg=-0.293) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 94 SER OG : rot 95:sc= -1.51! USER MOD Single : A 96 ASN : amide:sc= 0.026 X(o=0.026,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.316 F(o=-0.87,f=-0.32) USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= 1.03 (180deg=0.521) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.0644 X(o=-0.064,f=0) USER MOD Single : A 110 CYS SG : rot -7:sc= 0.0529 USER MOD Single : A 114 MET CE :methyl 164:sc= -0.241 (180deg=-0.558) USER MOD Single : A 120 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.0063) USER MOD Single : A 121 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=-0.15) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 SER OG : rot 76:sc= 0.243 USER MOD Single : A 127 SER OG : rot -39:sc= 1.26 USER MOD Single : A 129 HIS :FLIP no HE2:sc=-0.00787 F(o=-0.52,f=-0.0079) USER MOD Single : A 130 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 3.563 17.900 -4.148 1.00 0.00 N ATOM 110 CA TYR A 11 3.359 16.456 -4.084 1.00 0.00 C ATOM 111 C TYR A 11 3.066 16.040 -2.647 1.00 0.00 C ATOM 112 O TYR A 11 2.228 15.164 -2.434 1.00 0.00 O ATOM 113 CB TYR A 11 4.587 15.698 -4.617 1.00 0.00 C ATOM 114 CG TYR A 11 4.893 15.815 -6.104 1.00 0.00 C ATOM 115 CD1 TYR A 11 3.876 15.708 -7.076 1.00 0.00 C ATOM 116 CD2 TYR A 11 6.228 15.980 -6.525 1.00 0.00 C ATOM 117 CE1 TYR A 11 4.192 15.763 -8.447 1.00 0.00 C ATOM 118 CE2 TYR A 11 6.554 15.993 -7.895 1.00 0.00 C ATOM 119 CZ TYR A 11 5.535 15.888 -8.865 1.00 0.00 C ATOM 120 OH TYR A 11 5.864 15.944 -10.184 1.00 0.00 O ATOM 0 HA TYR A 11 2.507 16.201 -4.715 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.461 16.043 -4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.459 14.641 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.849 15.583 -6.767 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.009 16.098 -5.789 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.403 15.709 -9.183 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.585 16.083 -8.203 1.00 0.00 H new ATOM 0 HH TYR A 11 6.836 16.031 -10.275 1.00 0.00 H new ATOM 130 N SER A 12 3.724 16.656 -1.660 1.00 0.00 N ATOM 131 CA SER A 12 3.510 16.313 -0.264 1.00 0.00 C ATOM 132 C SER A 12 2.074 16.633 0.161 1.00 0.00 C ATOM 133 O SER A 12 1.498 15.871 0.930 1.00 0.00 O ATOM 134 CB SER A 12 4.568 17.005 0.596 1.00 0.00 C ATOM 135 OG SER A 12 4.626 18.393 0.330 1.00 0.00 O ATOM 0 H SER A 12 4.410 17.396 -1.810 1.00 0.00 H new ATOM 0 HA SER A 12 3.628 15.239 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.343 16.845 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.543 16.556 0.406 1.00 0.00 H new ATOM 0 HG SER A 12 5.310 18.806 0.897 1.00 0.00 H new ATOM 141 N GLN A 13 1.459 17.689 -0.388 1.00 0.00 N ATOM 142 CA GLN A 13 0.076 18.018 -0.098 1.00 0.00 C ATOM 143 C GLN A 13 -0.866 16.885 -0.485 1.00 0.00 C ATOM 144 O GLN A 13 -1.647 16.461 0.356 1.00 0.00 O ATOM 145 CB GLN A 13 -0.355 19.321 -0.790 1.00 0.00 C ATOM 146 CG GLN A 13 -0.678 20.384 0.252 1.00 0.00 C ATOM 147 CD GLN A 13 -1.599 21.475 -0.278 1.00 0.00 C ATOM 148 OE1 GLN A 13 -1.663 21.746 -1.477 1.00 0.00 O ATOM 149 NE2 GLN A 13 -2.354 22.101 0.600 1.00 0.00 N ATOM 0 H GLN A 13 1.911 18.329 -1.040 1.00 0.00 H new ATOM 0 HA GLN A 13 0.011 18.164 0.980 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.440 19.674 -1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.228 19.138 -1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.145 19.909 1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.250 20.837 0.601 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.288 21.864 1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.005 22.823 0.290 1.00 0.00 H new ATOM 158 N ARG A 14 -0.850 16.422 -1.738 1.00 0.00 N ATOM 159 CA ARG A 14 -1.678 15.295 -2.192 1.00 0.00 C ATOM 160 C ARG A 14 -1.357 14.036 -1.384 1.00 0.00 C ATOM 161 O ARG A 14 -2.257 13.248 -1.119 1.00 0.00 O ATOM 162 CB ARG A 14 -1.474 15.048 -3.701 1.00 0.00 C ATOM 163 CG ARG A 14 -2.142 16.118 -4.584 1.00 0.00 C ATOM 164 CD ARG A 14 -1.546 16.170 -6.001 1.00 0.00 C ATOM 165 NE ARG A 14 -2.232 15.250 -6.922 1.00 0.00 N ATOM 166 CZ ARG A 14 -2.049 15.163 -8.246 1.00 0.00 C ATOM 167 NH1 ARG A 14 -1.169 15.950 -8.864 1.00 0.00 N ATOM 168 NH2 ARG A 14 -2.778 14.288 -8.930 1.00 0.00 N ATOM 0 H ARG A 14 -0.261 16.818 -2.471 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.726 15.546 -2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.406 15.022 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.876 14.069 -3.960 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.211 15.914 -4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.033 17.094 -4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.615 17.187 -6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.487 15.917 -5.958 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.916 14.615 -6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.626 16.627 -8.328 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.038 15.875 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.458 13.702 -8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.658 14.202 -9.939 1.00 0.00 H new ATOM 182 N GLN A 15 -0.102 13.831 -0.973 1.00 0.00 N ATOM 183 CA GLN A 15 0.261 12.695 -0.133 1.00 0.00 C ATOM 184 C GLN A 15 -0.468 12.788 1.211 1.00 0.00 C ATOM 185 O GLN A 15 -1.186 11.854 1.562 1.00 0.00 O ATOM 186 CB GLN A 15 1.789 12.588 0.010 1.00 0.00 C ATOM 187 CG GLN A 15 2.399 12.077 -1.303 1.00 0.00 C ATOM 188 CD GLN A 15 3.919 12.189 -1.379 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.638 12.059 -0.392 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.471 12.344 -2.571 1.00 0.00 N ATOM 0 H GLN A 15 0.679 14.442 -1.212 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.062 11.769 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.209 13.562 0.262 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.041 11.911 0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.117 11.033 -1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.964 12.635 -2.132 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.881 12.453 -3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.487 12.355 -2.665 1.00 0.00 H new ATOM 199 N ASP A 16 -0.313 13.892 1.942 1.00 0.00 N ATOM 200 CA ASP A 16 -0.917 14.129 3.259 1.00 0.00 C ATOM 201 C ASP A 16 -2.446 14.140 3.183 1.00 0.00 C ATOM 202 O ASP A 16 -3.111 13.483 3.981 1.00 0.00 O ATOM 203 CB ASP A 16 -0.366 15.454 3.805 1.00 0.00 C ATOM 204 CG ASP A 16 -0.791 15.782 5.238 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.101 14.873 6.040 1.00 0.00 O ATOM 206 OD2 ASP A 16 -0.729 16.982 5.587 1.00 0.00 O ATOM 0 H ASP A 16 0.257 14.676 1.624 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.655 13.316 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.723 15.424 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.689 16.263 3.150 1.00 0.00 H new ATOM 211 N HIS A 17 -3.005 14.786 2.153 1.00 0.00 N ATOM 212 CA HIS A 17 -4.427 14.761 1.817 1.00 0.00 C ATOM 213 C HIS A 17 -4.940 13.323 1.766 1.00 0.00 C ATOM 214 O HIS A 17 -6.052 13.057 2.231 1.00 0.00 O ATOM 215 CB HIS A 17 -4.677 15.426 0.446 1.00 0.00 C ATOM 216 CG HIS A 17 -5.068 16.884 0.467 1.00 0.00 C ATOM 217 ND1 HIS A 17 -4.241 17.931 0.138 1.00 0.00 N ATOM 218 CD2 HIS A 17 -6.329 17.388 0.652 1.00 0.00 C ATOM 219 CE1 HIS A 17 -4.984 19.049 0.088 1.00 0.00 C ATOM 220 NE2 HIS A 17 -6.257 18.774 0.432 1.00 0.00 N ATOM 0 H HIS A 17 -2.458 15.359 1.511 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.959 15.314 2.591 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.772 15.324 -0.153 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.462 14.869 -0.065 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -3.238 17.870 -0.038 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.212 16.826 0.917 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.615 20.026 -0.188 1.00 0.00 H new ATOM 228 N GLU A 18 -4.170 12.406 1.176 1.00 0.00 N ATOM 229 CA GLU A 18 -4.599 11.036 0.977 1.00 0.00 C ATOM 230 C GLU A 18 -4.360 10.213 2.241 1.00 0.00 C ATOM 231 O GLU A 18 -5.122 9.297 2.505 1.00 0.00 O ATOM 232 CB GLU A 18 -3.872 10.459 -0.238 1.00 0.00 C ATOM 233 CG GLU A 18 -4.561 9.219 -0.808 1.00 0.00 C ATOM 234 CD GLU A 18 -5.886 9.492 -1.540 1.00 0.00 C ATOM 235 OE1 GLU A 18 -6.381 10.640 -1.560 1.00 0.00 O ATOM 236 OE2 GLU A 18 -6.408 8.546 -2.169 1.00 0.00 O ATOM 0 H GLU A 18 -3.232 12.601 0.825 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.671 11.003 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.808 11.222 -1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.850 10.204 0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.876 8.726 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.750 8.520 0.007 1.00 0.00 H new ATOM 243 N LEU A 19 -3.350 10.529 3.053 1.00 0.00 N ATOM 244 CA LEU A 19 -3.109 9.871 4.342 1.00 0.00 C ATOM 245 C LEU A 19 -4.267 10.174 5.284 1.00 0.00 C ATOM 246 O LEU A 19 -4.810 9.272 5.910 1.00 0.00 O ATOM 247 CB LEU A 19 -1.772 10.368 4.935 1.00 0.00 C ATOM 248 CG LEU A 19 -0.565 9.873 4.122 1.00 0.00 C ATOM 249 CD1 LEU A 19 0.726 10.637 4.405 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.272 8.414 4.368 1.00 0.00 C ATOM 0 H LEU A 19 -2.669 11.256 2.834 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.043 8.792 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.769 11.458 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.682 10.024 5.965 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.865 10.044 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.531 10.230 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.585 11.691 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.984 10.537 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.589 8.110 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.054 8.260 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.138 7.816 4.085 1.00 0.00 H new ATOM 262 N GLN A 20 -4.670 11.439 5.349 1.00 0.00 N ATOM 263 CA GLN A 20 -5.855 11.874 6.077 1.00 0.00 C ATOM 264 C GLN A 20 -7.101 11.171 5.527 1.00 0.00 C ATOM 265 O GLN A 20 -7.901 10.653 6.301 1.00 0.00 O ATOM 266 CB GLN A 20 -5.979 13.397 5.956 1.00 0.00 C ATOM 267 CG GLN A 20 -4.844 14.153 6.670 1.00 0.00 C ATOM 268 CD GLN A 20 -4.797 15.616 6.243 1.00 0.00 C ATOM 269 OE1 GLN A 20 -5.807 16.190 5.843 1.00 0.00 O ATOM 270 NE2 GLN A 20 -3.654 16.266 6.295 1.00 0.00 N ATOM 0 H GLN A 20 -4.174 12.202 4.889 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.764 11.608 7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.984 13.673 4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.936 13.712 6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.986 14.091 7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.890 13.676 6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.813 15.793 6.626 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.609 17.243 6.004 1.00 0.00 H new ATOM 279 N ALA A 21 -7.254 11.107 4.197 1.00 0.00 N ATOM 280 CA ALA A 21 -8.375 10.402 3.584 1.00 0.00 C ATOM 281 C ALA A 21 -8.396 8.928 3.997 1.00 0.00 C ATOM 282 O ALA A 21 -9.448 8.404 4.349 1.00 0.00 O ATOM 283 CB ALA A 21 -8.329 10.530 2.058 1.00 0.00 C ATOM 0 H ALA A 21 -6.613 11.537 3.530 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.294 10.866 3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.174 9.997 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.381 11.582 1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.399 10.102 1.685 1.00 0.00 H new ATOM 289 N LEU A 22 -7.250 8.250 3.972 1.00 0.00 N ATOM 290 CA LEU A 22 -7.142 6.857 4.372 1.00 0.00 C ATOM 291 C LEU A 22 -7.549 6.710 5.838 1.00 0.00 C ATOM 292 O LEU A 22 -8.252 5.763 6.164 1.00 0.00 O ATOM 293 CB LEU A 22 -5.718 6.326 4.139 1.00 0.00 C ATOM 294 CG LEU A 22 -5.328 6.124 2.664 1.00 0.00 C ATOM 295 CD1 LEU A 22 -3.814 5.931 2.557 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.042 4.934 2.020 1.00 0.00 C ATOM 0 H LEU A 22 -6.366 8.659 3.670 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.817 6.261 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.010 7.019 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.612 5.374 4.660 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.640 7.018 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.538 5.788 1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.306 6.812 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.517 5.055 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.728 4.840 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.788 4.022 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.120 5.091 2.061 1.00 0.00 H new ATOM 308 N GLU A 23 -7.178 7.642 6.714 1.00 0.00 N ATOM 309 CA GLU A 23 -7.548 7.612 8.124 1.00 0.00 C ATOM 310 C GLU A 23 -9.059 7.832 8.316 1.00 0.00 C ATOM 311 O GLU A 23 -9.643 7.355 9.289 1.00 0.00 O ATOM 312 CB GLU A 23 -6.749 8.699 8.855 1.00 0.00 C ATOM 313 CG GLU A 23 -6.805 8.561 10.383 1.00 0.00 C ATOM 314 CD GLU A 23 -7.112 9.903 11.042 1.00 0.00 C ATOM 315 OE1 GLU A 23 -6.303 10.849 10.900 1.00 0.00 O ATOM 316 OE2 GLU A 23 -8.195 10.022 11.655 1.00 0.00 O ATOM 0 H GLU A 23 -6.606 8.447 6.460 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.315 6.630 8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.709 8.658 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.134 9.678 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.568 7.833 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.853 8.180 10.752 1.00 0.00 H new ATOM 323 N ALA A 24 -9.710 8.538 7.394 1.00 0.00 N ATOM 324 CA ALA A 24 -11.129 8.839 7.453 1.00 0.00 C ATOM 325 C ALA A 24 -11.943 7.661 6.925 1.00 0.00 C ATOM 326 O ALA A 24 -13.124 7.511 7.254 1.00 0.00 O ATOM 327 CB ALA A 24 -11.373 10.074 6.587 1.00 0.00 C ATOM 0 H ALA A 24 -9.251 8.923 6.569 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.436 9.024 8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.432 10.330 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.790 10.910 6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.071 9.864 5.561 1.00 0.00 H new ATOM 333 N ILE A 25 -11.335 6.841 6.074 1.00 0.00 N ATOM 334 CA ILE A 25 -11.983 5.782 5.335 1.00 0.00 C ATOM 335 C ILE A 25 -11.719 4.468 6.070 1.00 0.00 C ATOM 336 O ILE A 25 -12.651 3.855 6.585 1.00 0.00 O ATOM 337 CB ILE A 25 -11.508 5.844 3.865 1.00 0.00 C ATOM 338 CG1 ILE A 25 -12.023 7.142 3.188 1.00 0.00 C ATOM 339 CG2 ILE A 25 -11.885 4.597 3.049 1.00 0.00 C ATOM 340 CD1 ILE A 25 -13.494 7.141 2.774 1.00 0.00 C ATOM 0 H ILE A 25 -10.336 6.905 5.878 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.067 5.883 5.286 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.418 5.862 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.859 7.975 3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.417 7.332 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.521 4.707 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.432 3.715 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.969 4.483 3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.743 8.097 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.671 6.336 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.119 6.989 3.654 1.00 0.00 H new ATOM 352 N TYR A 26 -10.451 4.055 6.131 1.00 0.00 N ATOM 353 CA TYR A 26 -9.976 2.853 6.797 1.00 0.00 C ATOM 354 C TYR A 26 -10.134 3.047 8.306 1.00 0.00 C ATOM 355 O TYR A 26 -11.048 2.475 8.904 1.00 0.00 O ATOM 356 CB TYR A 26 -8.536 2.539 6.326 1.00 0.00 C ATOM 357 CG TYR A 26 -8.488 2.147 4.854 1.00 0.00 C ATOM 358 CD1 TYR A 26 -8.491 3.130 3.845 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.543 0.788 4.493 1.00 0.00 C ATOM 360 CE1 TYR A 26 -8.676 2.766 2.496 1.00 0.00 C ATOM 361 CE2 TYR A 26 -8.708 0.415 3.147 1.00 0.00 C ATOM 362 CZ TYR A 26 -8.829 1.403 2.144 1.00 0.00 C ATOM 363 OH TYR A 26 -9.121 1.010 0.871 1.00 0.00 O ATOM 0 H TYR A 26 -9.694 4.581 5.693 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.563 1.973 6.534 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.903 3.411 6.489 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.126 1.730 6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.351 4.168 4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.458 0.027 5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.701 3.527 1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.742 -0.631 2.879 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.183 0.033 0.837 1.00 0.00 H new ATOM 373 N GLY A 27 -9.336 3.931 8.913 1.00 0.00 N ATOM 374 CA GLY A 27 -9.364 4.205 10.346 1.00 0.00 C ATOM 375 C GLY A 27 -8.136 3.600 10.998 1.00 0.00 C ATOM 376 O GLY A 27 -7.043 3.772 10.478 1.00 0.00 O ATOM 0 H GLY A 27 -8.642 4.484 8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.390 5.280 10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.268 3.788 10.790 1.00 0.00 H new ATOM 380 N SER A 28 -8.312 2.884 12.107 1.00 0.00 N ATOM 381 CA SER A 28 -7.268 2.212 12.875 1.00 0.00 C ATOM 382 C SER A 28 -6.494 1.201 12.022 1.00 0.00 C ATOM 383 O SER A 28 -5.321 0.932 12.285 1.00 0.00 O ATOM 384 CB SER A 28 -7.963 1.518 14.051 1.00 0.00 C ATOM 385 OG SER A 28 -7.065 0.971 14.993 1.00 0.00 O ATOM 0 H SER A 28 -9.237 2.751 12.515 1.00 0.00 H new ATOM 0 HA SER A 28 -6.532 2.936 13.225 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.612 2.235 14.554 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.603 0.723 13.667 1.00 0.00 H new ATOM 0 HG SER A 28 -7.570 0.545 15.717 1.00 0.00 H new ATOM 391 N ASP A 29 -7.138 0.639 10.993 1.00 0.00 N ATOM 392 CA ASP A 29 -6.517 -0.256 10.023 1.00 0.00 C ATOM 393 C ASP A 29 -5.350 0.454 9.329 1.00 0.00 C ATOM 394 O ASP A 29 -4.340 -0.192 9.044 1.00 0.00 O ATOM 395 CB ASP A 29 -7.507 -0.861 8.986 1.00 0.00 C ATOM 396 CG ASP A 29 -8.947 -0.329 8.957 1.00 0.00 C ATOM 397 OD1 ASP A 29 -9.584 -0.188 10.025 1.00 0.00 O ATOM 398 OD2 ASP A 29 -9.486 -0.080 7.859 1.00 0.00 O ATOM 0 H ASP A 29 -8.129 0.801 10.812 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.144 -1.111 10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.079 -0.716 7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.553 -1.936 9.159 1.00 0.00 H new ATOM 403 N PHE A 30 -5.447 1.767 9.098 1.00 0.00 N ATOM 404 CA PHE A 30 -4.376 2.637 8.620 1.00 0.00 C ATOM 405 C PHE A 30 -3.593 3.174 9.821 1.00 0.00 C ATOM 406 O PHE A 30 -4.158 3.563 10.843 1.00 0.00 O ATOM 407 CB PHE A 30 -5.001 3.792 7.818 1.00 0.00 C ATOM 408 CG PHE A 30 -4.049 4.924 7.503 1.00 0.00 C ATOM 409 CD1 PHE A 30 -3.095 4.771 6.484 1.00 0.00 C ATOM 410 CD2 PHE A 30 -4.096 6.115 8.253 1.00 0.00 C ATOM 411 CE1 PHE A 30 -2.198 5.814 6.206 1.00 0.00 C ATOM 412 CE2 PHE A 30 -3.212 7.166 7.956 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.268 7.020 6.926 1.00 0.00 C ATOM 0 H PHE A 30 -6.319 2.274 9.248 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.691 2.086 7.976 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.396 3.396 6.883 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.847 4.191 8.378 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.052 3.853 5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.811 6.220 9.056 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.451 5.690 5.436 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.258 8.086 8.520 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.597 7.832 6.688 1.00 0.00 H new ATOM 423 N GLN A 31 -2.274 3.243 9.681 1.00 0.00 N ATOM 424 CA GLN A 31 -1.345 3.720 10.665 1.00 0.00 C ATOM 425 C GLN A 31 -0.320 4.587 9.949 1.00 0.00 C ATOM 426 O GLN A 31 0.462 4.087 9.139 1.00 0.00 O ATOM 427 CB GLN A 31 -0.696 2.497 11.315 1.00 0.00 C ATOM 428 CG GLN A 31 0.062 2.921 12.560 1.00 0.00 C ATOM 429 CD GLN A 31 0.738 1.763 13.283 1.00 0.00 C ATOM 430 OE1 GLN A 31 0.958 0.682 12.732 1.00 0.00 O ATOM 431 NE2 GLN A 31 1.104 1.952 14.536 1.00 0.00 N ATOM 0 H GLN A 31 -1.810 2.947 8.822 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.823 4.317 11.442 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.459 1.763 11.574 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.017 2.016 10.611 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.817 3.657 12.283 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.627 3.414 13.245 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.922 2.846 14.991 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.569 1.204 15.050 1.00 0.00 H new ATOM 440 N ASP A 32 -0.320 5.883 10.242 1.00 0.00 N ATOM 441 CA ASP A 32 0.753 6.795 9.853 1.00 0.00 C ATOM 442 C ASP A 32 1.970 6.510 10.737 1.00 0.00 C ATOM 443 O ASP A 32 1.849 6.351 11.959 1.00 0.00 O ATOM 444 CB ASP A 32 0.276 8.264 9.890 1.00 0.00 C ATOM 445 CG ASP A 32 0.913 9.179 10.950 1.00 0.00 C ATOM 446 OD1 ASP A 32 2.156 9.271 11.074 1.00 0.00 O ATOM 447 OD2 ASP A 32 0.143 9.840 11.687 1.00 0.00 O ATOM 0 H ASP A 32 -1.072 6.336 10.761 1.00 0.00 H new ATOM 0 HA ASP A 32 1.049 6.627 8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.458 8.704 8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.803 8.266 10.045 1.00 0.00 H new ATOM 452 N LEU A 33 3.151 6.404 10.123 1.00 0.00 N ATOM 453 CA LEU A 33 4.402 6.131 10.826 1.00 0.00 C ATOM 454 C LEU A 33 5.358 7.320 10.727 1.00 0.00 C ATOM 455 O LEU A 33 6.260 7.442 11.559 1.00 0.00 O ATOM 456 CB LEU A 33 5.044 4.836 10.299 1.00 0.00 C ATOM 457 CG LEU A 33 4.125 3.598 10.376 1.00 0.00 C ATOM 458 CD1 LEU A 33 4.779 2.426 9.647 1.00 0.00 C ATOM 459 CD2 LEU A 33 3.838 3.185 11.825 1.00 0.00 C ATOM 0 H LEU A 33 3.264 6.507 9.115 1.00 0.00 H new ATOM 0 HA LEU A 33 4.180 5.985 11.883 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.344 4.988 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.952 4.636 10.868 1.00 0.00 H new ATOM 0 HG LEU A 33 3.179 3.863 9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.128 1.554 9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.940 2.692 8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.736 2.195 10.115 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.188 2.310 11.832 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.775 2.945 12.327 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.347 4.006 12.347 1.00 0.00 H new ATOM 641 N PRO A 44 9.943 10.462 3.048 1.00 0.00 N ATOM 642 CA PRO A 44 8.799 9.683 2.600 1.00 0.00 C ATOM 643 C PRO A 44 7.894 9.265 3.786 1.00 0.00 C ATOM 644 O PRO A 44 8.389 8.582 4.700 1.00 0.00 O ATOM 645 CB PRO A 44 9.415 8.501 1.848 1.00 0.00 C ATOM 646 CG PRO A 44 10.831 8.344 2.390 1.00 0.00 C ATOM 647 CD PRO A 44 11.160 9.677 3.033 1.00 0.00 C ATOM 0 HA PRO A 44 8.127 10.246 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.834 7.593 2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.428 8.687 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.887 7.532 3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.534 8.108 1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.536 9.532 4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.941 10.191 2.473 1.00 0.00 H new ATOM 655 N PRO A 45 6.602 9.668 3.802 1.00 0.00 N ATOM 656 CA PRO A 45 5.656 9.323 4.851 1.00 0.00 C ATOM 657 C PRO A 45 5.270 7.849 4.772 1.00 0.00 C ATOM 658 O PRO A 45 4.420 7.462 3.974 1.00 0.00 O ATOM 659 CB PRO A 45 4.478 10.283 4.682 1.00 0.00 C ATOM 660 CG PRO A 45 4.455 10.545 3.180 1.00 0.00 C ATOM 661 CD PRO A 45 5.935 10.498 2.805 1.00 0.00 C ATOM 0 HA PRO A 45 6.077 9.437 5.850 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.544 9.839 5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.623 11.203 5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.878 9.789 2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.009 11.511 2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.067 10.082 1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.361 11.501 2.791 1.00 0.00 H new ATOM 669 N GLU A 46 5.912 7.033 5.601 1.00 0.00 N ATOM 670 CA GLU A 46 5.679 5.596 5.663 1.00 0.00 C ATOM 671 C GLU A 46 4.385 5.331 6.432 1.00 0.00 C ATOM 672 O GLU A 46 4.054 6.075 7.364 1.00 0.00 O ATOM 673 CB GLU A 46 6.881 4.897 6.330 1.00 0.00 C ATOM 674 CG GLU A 46 6.991 3.439 5.849 1.00 0.00 C ATOM 675 CD GLU A 46 8.358 2.829 6.171 1.00 0.00 C ATOM 676 OE1 GLU A 46 8.613 2.533 7.363 1.00 0.00 O ATOM 677 OE2 GLU A 46 9.149 2.625 5.215 1.00 0.00 O ATOM 0 H GLU A 46 6.620 7.358 6.259 1.00 0.00 H new ATOM 0 HA GLU A 46 5.575 5.191 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.799 5.435 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.768 4.921 7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.209 2.843 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.821 3.399 4.773 1.00 0.00 H new ATOM 684 N ILE A 47 3.696 4.246 6.070 1.00 0.00 N ATOM 685 CA ILE A 47 2.402 3.841 6.616 1.00 0.00 C ATOM 686 C ILE A 47 2.387 2.327 6.813 1.00 0.00 C ATOM 687 O ILE A 47 3.228 1.611 6.259 1.00 0.00 O ATOM 688 CB ILE A 47 1.247 4.250 5.673 1.00 0.00 C ATOM 689 CG1 ILE A 47 1.291 3.501 4.319 1.00 0.00 C ATOM 690 CG2 ILE A 47 1.302 5.765 5.427 1.00 0.00 C ATOM 691 CD1 ILE A 47 0.203 2.436 4.181 1.00 0.00 C ATOM 0 H ILE A 47 4.040 3.600 5.359 1.00 0.00 H new ATOM 0 HA ILE A 47 2.258 4.344 7.572 1.00 0.00 H new ATOM 0 HB ILE A 47 0.313 3.976 6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.188 4.223 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.267 3.030 4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.488 6.055 4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.201 6.292 6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.256 6.025 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.291 1.950 3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.319 1.693 4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.778 2.905 4.265 1.00 0.00 H new ATOM 703 N ASN A 48 1.366 1.835 7.504 1.00 0.00 N ATOM 704 CA ASN A 48 0.905 0.456 7.453 1.00 0.00 C ATOM 705 C ASN A 48 -0.617 0.472 7.261 1.00 0.00 C ATOM 706 O ASN A 48 -1.279 1.316 7.865 1.00 0.00 O ATOM 707 CB ASN A 48 1.281 -0.247 8.769 1.00 0.00 C ATOM 708 CG ASN A 48 0.399 -1.465 9.011 1.00 0.00 C ATOM 709 OD1 ASN A 48 0.353 -2.360 8.183 1.00 0.00 O ATOM 710 ND2 ASN A 48 -0.349 -1.509 10.102 1.00 0.00 N ATOM 0 H ASN A 48 0.815 2.411 8.141 1.00 0.00 H new ATOM 0 HA ASN A 48 1.369 -0.084 6.628 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.327 -0.552 8.736 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.179 0.451 9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.975 -2.299 10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.299 -0.753 10.785 1.00 0.00 H new ATOM 717 N LEU A 49 -1.166 -0.436 6.447 1.00 0.00 N ATOM 718 CA LEU A 49 -2.590 -0.666 6.262 1.00 0.00 C ATOM 719 C LEU A 49 -2.886 -2.154 6.394 1.00 0.00 C ATOM 720 O LEU A 49 -2.393 -2.945 5.591 1.00 0.00 O ATOM 721 CB LEU A 49 -3.026 -0.145 4.881 1.00 0.00 C ATOM 722 CG LEU A 49 -3.940 1.070 5.012 1.00 0.00 C ATOM 723 CD1 LEU A 49 -4.112 1.767 3.664 1.00 0.00 C ATOM 724 CD2 LEU A 49 -5.303 0.655 5.554 1.00 0.00 C ATOM 0 H LEU A 49 -0.595 -1.058 5.874 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.151 -0.129 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.146 0.120 4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.544 -0.936 4.338 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.476 1.767 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.767 2.630 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.140 2.097 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.552 1.072 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.943 1.533 5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.762 -0.062 4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.180 0.197 6.535 1.00 0.00 H new ATOM 736 N VAL A 50 -3.683 -2.549 7.383 1.00 0.00 N ATOM 737 CA VAL A 50 -4.193 -3.914 7.485 1.00 0.00 C ATOM 738 C VAL A 50 -5.364 -4.051 6.511 1.00 0.00 C ATOM 739 O VAL A 50 -6.227 -3.171 6.460 1.00 0.00 O ATOM 740 CB VAL A 50 -4.638 -4.225 8.926 1.00 0.00 C ATOM 741 CG1 VAL A 50 -4.935 -5.727 9.062 1.00 0.00 C ATOM 742 CG2 VAL A 50 -3.558 -3.853 9.956 1.00 0.00 C ATOM 0 H VAL A 50 -3.993 -1.934 8.135 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.410 -4.628 7.231 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.529 -3.629 9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.250 -5.945 10.083 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.730 -6.005 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.036 -6.298 8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.915 -4.089 10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.649 -4.419 9.751 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.344 -2.786 9.889 1.00 0.00 H new ATOM 752 N LEU A 51 -5.407 -5.133 5.728 1.00 0.00 N ATOM 753 CA LEU A 51 -6.421 -5.342 4.699 1.00 0.00 C ATOM 754 C LEU A 51 -6.904 -6.788 4.781 1.00 0.00 C ATOM 755 O LEU A 51 -6.072 -7.701 4.847 1.00 0.00 O ATOM 756 CB LEU A 51 -5.803 -5.027 3.326 1.00 0.00 C ATOM 757 CG LEU A 51 -5.352 -3.557 3.170 1.00 0.00 C ATOM 758 CD1 LEU A 51 -4.411 -3.406 1.981 1.00 0.00 C ATOM 759 CD2 LEU A 51 -6.535 -2.611 2.972 1.00 0.00 C ATOM 0 H LEU A 51 -4.731 -5.894 5.794 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.278 -4.684 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.945 -5.680 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.530 -5.259 2.548 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.839 -3.291 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.105 -2.364 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.530 -4.030 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.923 -3.716 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.170 -1.589 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.082 -2.895 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.198 -2.673 3.835 1.00 0.00 H new ATOM 771 N TYR A 52 -8.227 -6.993 4.765 1.00 0.00 N ATOM 772 CA TYR A 52 -8.874 -8.274 5.040 1.00 0.00 C ATOM 773 C TYR A 52 -9.826 -8.681 3.885 1.00 0.00 C ATOM 774 O TYR A 52 -10.367 -7.813 3.192 1.00 0.00 O ATOM 775 CB TYR A 52 -9.656 -8.163 6.361 1.00 0.00 C ATOM 776 CG TYR A 52 -8.938 -7.612 7.588 1.00 0.00 C ATOM 777 CD1 TYR A 52 -8.058 -8.427 8.321 1.00 0.00 C ATOM 778 CD2 TYR A 52 -9.249 -6.331 8.089 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.569 -8.018 9.570 1.00 0.00 C ATOM 780 CE2 TYR A 52 -8.735 -5.894 9.324 1.00 0.00 C ATOM 781 CZ TYR A 52 -7.933 -6.760 10.097 1.00 0.00 C ATOM 782 OH TYR A 52 -7.497 -6.362 11.323 1.00 0.00 O ATOM 0 H TYR A 52 -8.892 -6.249 4.554 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.110 -9.047 5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.528 -7.536 6.178 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.025 -9.157 6.612 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.754 -9.381 7.917 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.890 -5.677 7.517 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.912 -8.667 10.130 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.954 -4.898 9.679 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.847 -5.468 11.520 1.00 0.00 H new ATOM 792 N PRO A 53 -10.069 -9.987 3.652 1.00 0.00 N ATOM 793 CA PRO A 53 -10.940 -10.484 2.595 1.00 0.00 C ATOM 794 C PRO A 53 -12.402 -10.176 2.899 1.00 0.00 C ATOM 795 O PRO A 53 -12.830 -10.212 4.058 1.00 0.00 O ATOM 796 CB PRO A 53 -10.683 -11.991 2.515 1.00 0.00 C ATOM 797 CG PRO A 53 -10.056 -12.387 3.831 1.00 0.00 C ATOM 798 CD PRO A 53 -9.582 -11.078 4.460 1.00 0.00 C ATOM 0 HA PRO A 53 -10.729 -10.001 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.613 -12.535 2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.021 -12.228 1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.776 -12.894 4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.224 -13.075 3.679 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.954 -10.990 5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.494 -11.055 4.514 1.00 0.00 H new ATOM 896 N VAL A 61 -10.441 -14.273 9.957 1.00 0.00 N ATOM 897 CA VAL A 61 -9.672 -14.003 8.746 1.00 0.00 C ATOM 898 C VAL A 61 -8.494 -14.972 8.591 1.00 0.00 C ATOM 899 O VAL A 61 -7.410 -14.884 9.167 1.00 0.00 O ATOM 900 CB VAL A 61 -9.211 -12.544 8.702 1.00 0.00 C ATOM 901 CG1 VAL A 61 -8.556 -12.250 7.364 1.00 0.00 C ATOM 902 CG2 VAL A 61 -10.343 -11.547 8.933 1.00 0.00 C ATOM 0 HA VAL A 61 -10.332 -14.169 7.895 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.499 -12.420 9.518 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.230 -11.210 7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.694 -12.904 7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.273 -12.425 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.948 -10.532 8.889 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.103 -11.675 8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.787 -11.721 9.913 1.00 0.00 H new ATOM 912 N TYR A 62 -8.747 -15.886 7.675 1.00 0.00 N ATOM 913 CA TYR A 62 -7.846 -16.927 7.219 1.00 0.00 C ATOM 914 C TYR A 62 -6.598 -16.323 6.571 1.00 0.00 C ATOM 915 O TYR A 62 -5.490 -16.722 6.919 1.00 0.00 O ATOM 916 CB TYR A 62 -8.600 -17.856 6.274 1.00 0.00 C ATOM 917 CG TYR A 62 -9.700 -18.657 6.934 1.00 0.00 C ATOM 918 CD1 TYR A 62 -10.967 -18.086 7.173 1.00 0.00 C ATOM 919 CD2 TYR A 62 -9.443 -19.979 7.334 1.00 0.00 C ATOM 920 CE1 TYR A 62 -11.960 -18.819 7.841 1.00 0.00 C ATOM 921 CE2 TYR A 62 -10.434 -20.727 7.984 1.00 0.00 C ATOM 922 CZ TYR A 62 -11.689 -20.142 8.260 1.00 0.00 C ATOM 923 OH TYR A 62 -12.639 -20.842 8.935 1.00 0.00 O ATOM 0 H TYR A 62 -9.648 -15.924 7.198 1.00 0.00 H new ATOM 0 HA TYR A 62 -7.496 -17.513 8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.032 -17.263 5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.889 -18.545 5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.174 -17.080 6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.477 -20.421 7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -12.926 -18.375 8.034 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -10.238 -21.749 8.273 1.00 0.00 H new ATOM 0 HH TYR A 62 -12.296 -21.735 9.150 1.00 0.00 H new ATOM 933 N VAL A 63 -6.747 -15.339 5.679 1.00 0.00 N ATOM 934 CA VAL A 63 -5.662 -14.681 4.952 1.00 0.00 C ATOM 935 C VAL A 63 -5.856 -13.173 5.060 1.00 0.00 C ATOM 936 O VAL A 63 -6.964 -12.675 4.910 1.00 0.00 O ATOM 937 CB VAL A 63 -5.633 -15.113 3.467 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.225 -16.578 3.285 1.00 0.00 C ATOM 939 CG2 VAL A 63 -6.966 -14.841 2.755 1.00 0.00 C ATOM 0 H VAL A 63 -7.664 -14.966 5.435 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.708 -14.973 5.392 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.866 -14.495 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.222 -16.826 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.227 -16.732 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.935 -17.221 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.895 -15.161 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.763 -15.394 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.187 -13.774 2.792 1.00 0.00 H new ATOM 949 N GLN A 64 -4.772 -12.442 5.270 1.00 0.00 N ATOM 950 CA GLN A 64 -4.690 -10.979 5.319 1.00 0.00 C ATOM 951 C GLN A 64 -3.238 -10.581 5.041 1.00 0.00 C ATOM 952 O GLN A 64 -2.358 -11.450 5.069 1.00 0.00 O ATOM 953 CB GLN A 64 -5.185 -10.455 6.681 1.00 0.00 C ATOM 954 CG GLN A 64 -4.641 -11.229 7.887 1.00 0.00 C ATOM 955 CD GLN A 64 -5.032 -10.568 9.197 1.00 0.00 C ATOM 956 OE1 GLN A 64 -5.961 -11.004 9.861 1.00 0.00 O ATOM 957 NE2 GLN A 64 -4.341 -9.514 9.593 1.00 0.00 N ATOM 0 H GLN A 64 -3.863 -12.878 5.422 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.335 -10.530 4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.903 -9.407 6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.274 -10.495 6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.021 -12.250 7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.555 -11.292 7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.569 -9.167 9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.579 -9.048 10.468 1.00 0.00 H new ATOM 966 N VAL A 65 -2.947 -9.312 4.758 1.00 0.00 N ATOM 967 CA VAL A 65 -1.568 -8.829 4.767 1.00 0.00 C ATOM 968 C VAL A 65 -1.557 -7.364 5.208 1.00 0.00 C ATOM 969 O VAL A 65 -2.571 -6.671 5.097 1.00 0.00 O ATOM 970 CB VAL A 65 -0.877 -9.147 3.411 1.00 0.00 C ATOM 971 CG1 VAL A 65 -1.222 -8.228 2.236 1.00 0.00 C ATOM 972 CG2 VAL A 65 0.645 -9.167 3.529 1.00 0.00 C ATOM 0 H VAL A 65 -3.643 -8.605 4.521 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.956 -9.354 5.501 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.284 -10.132 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.678 -8.552 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.294 -8.273 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.940 -7.204 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.082 -9.393 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.997 -8.192 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.944 -9.930 4.248 1.00 0.00 H new ATOM 982 N GLU A 66 -0.414 -6.905 5.714 1.00 0.00 N ATOM 983 CA GLU A 66 -0.144 -5.502 5.986 1.00 0.00 C ATOM 984 C GLU A 66 0.452 -4.918 4.708 1.00 0.00 C ATOM 985 O GLU A 66 1.366 -5.502 4.114 1.00 0.00 O ATOM 986 CB GLU A 66 0.817 -5.376 7.182 1.00 0.00 C ATOM 987 CG GLU A 66 0.044 -5.587 8.495 1.00 0.00 C ATOM 988 CD GLU A 66 0.924 -5.762 9.739 1.00 0.00 C ATOM 989 OE1 GLU A 66 2.066 -5.265 9.809 1.00 0.00 O ATOM 990 OE2 GLU A 66 0.468 -6.446 10.691 1.00 0.00 O ATOM 0 H GLU A 66 0.367 -7.517 5.951 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.048 -4.956 6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.616 -6.112 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.288 -4.393 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.617 -4.735 8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.590 -6.467 8.389 1.00 0.00 H new ATOM 997 N LEU A 67 -0.075 -3.784 4.263 1.00 0.00 N ATOM 998 CA LEU A 67 0.290 -3.025 3.084 1.00 0.00 C ATOM 999 C LEU A 67 1.101 -1.822 3.555 1.00 0.00 C ATOM 1000 O LEU A 67 0.641 -1.044 4.384 1.00 0.00 O ATOM 1001 CB LEU A 67 -1.012 -2.627 2.363 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.826 -1.577 1.249 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.348 -2.073 -0.105 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.505 -0.248 1.584 1.00 0.00 C ATOM 0 H LEU A 67 -0.839 -3.335 4.769 1.00 0.00 H new ATOM 0 HA LEU A 67 0.900 -3.589 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.462 -3.521 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.716 -2.238 3.098 1.00 0.00 H new ATOM 0 HG LEU A 67 0.250 -1.416 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.196 -1.300 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.808 -2.974 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.412 -2.297 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.345 0.458 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.574 -0.410 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.080 0.156 2.503 1.00 0.00 H new ATOM 1016 N ARG A 68 2.323 -1.686 3.047 1.00 0.00 N ATOM 1017 CA ARG A 68 3.242 -0.604 3.362 1.00 0.00 C ATOM 1018 C ARG A 68 3.499 0.169 2.090 1.00 0.00 C ATOM 1019 O ARG A 68 3.892 -0.402 1.066 1.00 0.00 O ATOM 1020 CB ARG A 68 4.558 -1.153 3.925 1.00 0.00 C ATOM 1021 CG ARG A 68 4.540 -1.340 5.453 1.00 0.00 C ATOM 1022 CD ARG A 68 5.646 -0.526 6.128 1.00 0.00 C ATOM 1023 NE ARG A 68 6.985 -0.925 5.647 1.00 0.00 N ATOM 1024 CZ ARG A 68 7.767 -1.881 6.154 1.00 0.00 C ATOM 1025 NH1 ARG A 68 7.484 -2.422 7.332 1.00 0.00 N ATOM 1026 NH2 ARG A 68 8.818 -2.301 5.459 1.00 0.00 N ATOM 0 H ARG A 68 2.712 -2.353 2.380 1.00 0.00 H new ATOM 0 HA ARG A 68 2.806 0.045 4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.775 -2.111 3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.369 -0.475 3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.570 -1.036 5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.665 -2.396 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.489 0.535 5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.591 -0.662 7.208 1.00 0.00 H new ATOM 0 HE ARG A 68 7.351 -0.416 4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.666 -2.108 7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.084 -3.152 7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.022 -1.894 4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.421 -3.031 5.838 1.00 0.00 H new ATOM 1040 N VAL A 69 3.287 1.471 2.172 1.00 0.00 N ATOM 1041 CA VAL A 69 3.530 2.422 1.100 1.00 0.00 C ATOM 1042 C VAL A 69 4.411 3.515 1.704 1.00 0.00 C ATOM 1043 O VAL A 69 4.219 3.899 2.862 1.00 0.00 O ATOM 1044 CB VAL A 69 2.176 2.943 0.570 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.351 4.021 -0.504 1.00 0.00 C ATOM 1046 CG2 VAL A 69 1.333 1.813 -0.043 1.00 0.00 C ATOM 0 H VAL A 69 2.927 1.912 3.019 1.00 0.00 H new ATOM 0 HA VAL A 69 4.039 1.988 0.240 1.00 0.00 H new ATOM 0 HB VAL A 69 1.669 3.365 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.372 4.356 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.898 4.866 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.908 3.609 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.388 2.219 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.876 1.363 -0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.136 1.054 0.714 1.00 0.00 H new ATOM 1056 N LYS A 70 5.370 4.039 0.934 1.00 0.00 N ATOM 1057 CA LYS A 70 6.294 5.072 1.417 1.00 0.00 C ATOM 1058 C LYS A 70 6.011 6.469 0.862 1.00 0.00 C ATOM 1059 O LYS A 70 6.475 7.439 1.441 1.00 0.00 O ATOM 1060 CB LYS A 70 7.738 4.618 1.151 1.00 0.00 C ATOM 1061 CG LYS A 70 8.152 4.644 -0.330 1.00 0.00 C ATOM 1062 CD LYS A 70 8.931 5.914 -0.714 1.00 0.00 C ATOM 1063 CE LYS A 70 10.428 5.748 -0.432 1.00 0.00 C ATOM 1064 NZ LYS A 70 11.232 5.683 -1.671 1.00 0.00 N ATOM 0 H LYS A 70 5.528 3.762 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 70 6.139 5.179 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.416 5.257 1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.863 3.605 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.765 3.769 -0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.260 4.569 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.779 6.132 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.544 6.765 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.774 6.582 0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.587 4.839 0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.243 5.707 -1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.018 4.801 -2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.001 6.496 -2.278 1.00 0.00 H new ATOM 1078 N CYS A 71 5.283 6.565 -0.253 1.00 0.00 N ATOM 1079 CA CYS A 71 5.209 7.708 -1.163 1.00 0.00 C ATOM 1080 C CYS A 71 6.590 8.262 -1.563 1.00 0.00 C ATOM 1081 O CYS A 71 7.229 8.948 -0.765 1.00 0.00 O ATOM 1082 CB CYS A 71 4.379 8.857 -0.588 1.00 0.00 C ATOM 1083 SG CYS A 71 2.735 8.364 -0.038 1.00 0.00 S ATOM 0 H CYS A 71 4.691 5.795 -0.564 1.00 0.00 H new ATOM 0 HA CYS A 71 4.722 7.311 -2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.917 9.296 0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.280 9.635 -1.345 1.00 0.00 H new ATOM 0 HG CYS A 71 2.107 9.399 0.435 1.00 0.00 H new ATOM 1089 N PRO A 72 7.080 8.064 -2.797 1.00 0.00 N ATOM 1090 CA PRO A 72 8.267 8.771 -3.257 1.00 0.00 C ATOM 1091 C PRO A 72 8.037 10.288 -3.264 1.00 0.00 C ATOM 1092 O PRO A 72 6.889 10.744 -3.313 1.00 0.00 O ATOM 1093 CB PRO A 72 8.590 8.231 -4.653 1.00 0.00 C ATOM 1094 CG PRO A 72 7.316 7.515 -5.104 1.00 0.00 C ATOM 1095 CD PRO A 72 6.577 7.164 -3.811 1.00 0.00 C ATOM 0 HA PRO A 72 9.110 8.603 -2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.853 9.038 -5.337 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.438 7.547 -4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.709 8.156 -5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.550 6.620 -5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.500 7.281 -3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.755 6.126 -3.532 1.00 0.00 H new ATOM 1103 N PRO A 73 9.113 11.096 -3.316 1.00 0.00 N ATOM 1104 CA PRO A 73 9.033 12.558 -3.343 1.00 0.00 C ATOM 1105 C PRO A 73 8.442 13.116 -4.653 1.00 0.00 C ATOM 1106 O PRO A 73 8.576 14.308 -4.934 1.00 0.00 O ATOM 1107 CB PRO A 73 10.470 13.037 -3.105 1.00 0.00 C ATOM 1108 CG PRO A 73 11.333 11.909 -3.655 1.00 0.00 C ATOM 1109 CD PRO A 73 10.504 10.660 -3.363 1.00 0.00 C ATOM 0 HA PRO A 73 8.346 12.924 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.667 13.977 -3.620 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.663 13.207 -2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.519 12.028 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.306 11.870 -3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.650 9.906 -4.137 1.00 0.00 H new ATOM 0 HD3 PRO A 73 10.802 10.207 -2.417 1.00 0.00 H new ATOM 1117 N THR A 74 7.824 12.265 -5.473 1.00 0.00 N ATOM 1118 CA THR A 74 7.211 12.583 -6.749 1.00 0.00 C ATOM 1119 C THR A 74 5.797 11.994 -6.865 1.00 0.00 C ATOM 1120 O THR A 74 5.064 12.372 -7.769 1.00 0.00 O ATOM 1121 CB THR A 74 8.152 12.126 -7.881 1.00 0.00 C ATOM 1122 OG1 THR A 74 8.655 10.822 -7.636 1.00 0.00 O ATOM 1123 CG2 THR A 74 9.397 12.995 -7.931 1.00 0.00 C ATOM 0 H THR A 74 7.737 11.275 -5.243 1.00 0.00 H new ATOM 0 HA THR A 74 7.076 13.661 -6.832 1.00 0.00 H new ATOM 0 HB THR A 74 7.562 12.179 -8.796 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.247 10.557 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.046 12.654 -8.737 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.110 14.031 -8.109 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.929 12.924 -6.982 1.00 0.00 H new ATOM 1131 N TYR A 75 5.368 11.078 -5.984 1.00 0.00 N ATOM 1132 CA TYR A 75 4.028 10.489 -6.071 1.00 0.00 C ATOM 1133 C TYR A 75 2.964 11.596 -5.955 1.00 0.00 C ATOM 1134 O TYR A 75 3.143 12.477 -5.106 1.00 0.00 O ATOM 1135 CB TYR A 75 3.873 9.446 -4.958 1.00 0.00 C ATOM 1136 CG TYR A 75 2.470 8.913 -4.749 1.00 0.00 C ATOM 1137 CD1 TYR A 75 1.551 9.639 -3.968 1.00 0.00 C ATOM 1138 CD2 TYR A 75 2.074 7.696 -5.329 1.00 0.00 C ATOM 1139 CE1 TYR A 75 0.240 9.170 -3.774 1.00 0.00 C ATOM 1140 CE2 TYR A 75 0.762 7.223 -5.158 1.00 0.00 C ATOM 1141 CZ TYR A 75 -0.162 7.958 -4.379 1.00 0.00 C ATOM 1142 OH TYR A 75 -1.424 7.489 -4.200 1.00 0.00 O ATOM 0 H TYR A 75 5.929 10.731 -5.206 1.00 0.00 H new ATOM 0 HA TYR A 75 3.892 9.996 -7.034 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.532 8.606 -5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.218 9.886 -4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.857 10.569 -3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.781 7.122 -5.909 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.455 9.732 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.458 6.296 -5.622 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.924 8.107 -3.627 1.00 0.00 H new ATOM 1152 N PRO A 76 1.843 11.540 -6.703 1.00 0.00 N ATOM 1153 CA PRO A 76 1.411 10.455 -7.595 1.00 0.00 C ATOM 1154 C PRO A 76 1.980 10.481 -9.028 1.00 0.00 C ATOM 1155 O PRO A 76 1.534 9.691 -9.862 1.00 0.00 O ATOM 1156 CB PRO A 76 -0.115 10.543 -7.589 1.00 0.00 C ATOM 1157 CG PRO A 76 -0.411 12.020 -7.375 1.00 0.00 C ATOM 1158 CD PRO A 76 0.753 12.489 -6.506 1.00 0.00 C ATOM 0 HA PRO A 76 1.802 9.508 -7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.537 10.186 -8.528 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.545 9.933 -6.794 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.452 12.563 -8.319 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.370 12.170 -6.879 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.063 13.496 -6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.460 12.527 -5.457 1.00 0.00 H new ATOM 1166 N ASP A 77 2.970 11.328 -9.339 1.00 0.00 N ATOM 1167 CA ASP A 77 3.573 11.388 -10.679 1.00 0.00 C ATOM 1168 C ASP A 77 4.300 10.093 -11.047 1.00 0.00 C ATOM 1169 O ASP A 77 4.400 9.756 -12.227 1.00 0.00 O ATOM 1170 CB ASP A 77 4.571 12.552 -10.786 1.00 0.00 C ATOM 1171 CG ASP A 77 5.062 12.743 -12.219 1.00 0.00 C ATOM 1172 OD1 ASP A 77 4.248 13.130 -13.088 1.00 0.00 O ATOM 1173 OD2 ASP A 77 6.255 12.478 -12.498 1.00 0.00 O ATOM 0 H ASP A 77 3.374 11.988 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 77 2.747 11.538 -11.374 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.098 13.470 -10.438 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.422 12.363 -10.132 1.00 0.00 H new ATOM 1178 N VAL A 78 4.791 9.336 -10.062 1.00 0.00 N ATOM 1179 CA VAL A 78 5.421 8.037 -10.283 1.00 0.00 C ATOM 1180 C VAL A 78 4.799 7.010 -9.348 1.00 0.00 C ATOM 1181 O VAL A 78 4.294 7.346 -8.268 1.00 0.00 O ATOM 1182 CB VAL A 78 6.960 8.105 -10.158 1.00 0.00 C ATOM 1183 CG1 VAL A 78 7.568 9.252 -10.982 1.00 0.00 C ATOM 1184 CG2 VAL A 78 7.422 8.223 -8.699 1.00 0.00 C ATOM 0 H VAL A 78 4.761 9.613 -9.081 1.00 0.00 H new ATOM 0 HA VAL A 78 5.232 7.723 -11.310 1.00 0.00 H new ATOM 0 HB VAL A 78 7.323 7.160 -10.563 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.651 9.254 -10.859 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.323 9.113 -12.035 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.161 10.203 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.511 8.267 -8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.008 9.130 -8.258 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.076 7.356 -8.137 1.00 0.00 H new ATOM 1194 N VAL A 79 4.873 5.753 -9.770 1.00 0.00 N ATOM 1195 CA VAL A 79 4.350 4.621 -9.033 1.00 0.00 C ATOM 1196 C VAL A 79 5.112 4.435 -7.714 1.00 0.00 C ATOM 1197 O VAL A 79 6.347 4.358 -7.714 1.00 0.00 O ATOM 1198 CB VAL A 79 4.358 3.369 -9.919 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.362 3.564 -11.064 1.00 0.00 C ATOM 1200 CG2 VAL A 79 5.721 3.003 -10.523 1.00 0.00 C ATOM 0 H VAL A 79 5.309 5.492 -10.654 1.00 0.00 H new ATOM 0 HA VAL A 79 3.312 4.809 -8.760 1.00 0.00 H new ATOM 0 HB VAL A 79 4.087 2.545 -9.260 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.361 2.679 -11.700 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.363 3.719 -10.655 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.651 4.434 -11.654 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.620 2.104 -11.132 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.076 3.825 -11.145 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.437 2.820 -9.722 1.00 0.00 H new ATOM 1210 N PRO A 80 4.405 4.369 -6.575 1.00 0.00 N ATOM 1211 CA PRO A 80 5.021 4.232 -5.275 1.00 0.00 C ATOM 1212 C PRO A 80 5.479 2.799 -5.038 1.00 0.00 C ATOM 1213 O PRO A 80 5.018 1.857 -5.688 1.00 0.00 O ATOM 1214 CB PRO A 80 3.930 4.626 -4.285 1.00 0.00 C ATOM 1215 CG PRO A 80 2.643 4.178 -4.975 1.00 0.00 C ATOM 1216 CD PRO A 80 2.958 4.308 -6.462 1.00 0.00 C ATOM 0 HA PRO A 80 5.911 4.854 -5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.063 4.131 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.930 5.699 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.384 3.153 -4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.798 4.805 -4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.561 3.459 -7.018 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.499 5.204 -6.879 1.00 0.00 H new ATOM 1224 N GLU A 81 6.362 2.647 -4.064 1.00 0.00 N ATOM 1225 CA GLU A 81 6.769 1.365 -3.544 1.00 0.00 C ATOM 1226 C GLU A 81 5.612 0.708 -2.814 1.00 0.00 C ATOM 1227 O GLU A 81 4.795 1.361 -2.156 1.00 0.00 O ATOM 1228 CB GLU A 81 7.953 1.522 -2.589 1.00 0.00 C ATOM 1229 CG GLU A 81 9.229 1.982 -3.302 1.00 0.00 C ATOM 1230 CD GLU A 81 9.397 3.499 -3.450 1.00 0.00 C ATOM 1231 OE1 GLU A 81 8.436 4.285 -3.333 1.00 0.00 O ATOM 1232 OE2 GLU A 81 10.547 3.939 -3.682 1.00 0.00 O ATOM 0 H GLU A 81 6.822 3.434 -3.607 1.00 0.00 H new ATOM 0 HA GLU A 81 7.073 0.737 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.695 2.242 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.142 0.571 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.089 1.591 -2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.250 1.534 -4.295 1.00 0.00 H new ATOM 1239 N ILE A 82 5.594 -0.613 -2.929 1.00 0.00 N ATOM 1240 CA ILE A 82 4.535 -1.502 -2.507 1.00 0.00 C ATOM 1241 C ILE A 82 5.272 -2.669 -1.881 1.00 0.00 C ATOM 1242 O ILE A 82 5.921 -3.475 -2.548 1.00 0.00 O ATOM 1243 CB ILE A 82 3.671 -1.902 -3.713 1.00 0.00 C ATOM 1244 CG1 ILE A 82 2.744 -0.738 -4.136 1.00 0.00 C ATOM 1245 CG2 ILE A 82 2.836 -3.173 -3.493 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.305 -0.840 -5.596 1.00 0.00 C ATOM 0 H ILE A 82 6.374 -1.120 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 82 3.835 -1.059 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 82 4.378 -2.128 -4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.863 -0.728 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.261 0.209 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.255 -3.387 -4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.499 -4.012 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.161 -3.023 -2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.656 0.001 -5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.183 -0.821 -6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.762 -1.773 -5.748 1.00 0.00 H new ATOM 1258 N ASP A 83 5.187 -2.720 -0.568 1.00 0.00 N ATOM 1259 CA ASP A 83 5.721 -3.786 0.253 1.00 0.00 C ATOM 1260 C ASP A 83 4.519 -4.396 0.945 1.00 0.00 C ATOM 1261 O ASP A 83 3.720 -3.666 1.540 1.00 0.00 O ATOM 1262 CB ASP A 83 6.722 -3.246 1.269 1.00 0.00 C ATOM 1263 CG ASP A 83 7.894 -2.516 0.625 1.00 0.00 C ATOM 1264 OD1 ASP A 83 8.686 -3.139 -0.116 1.00 0.00 O ATOM 1265 OD2 ASP A 83 8.089 -1.322 0.939 1.00 0.00 O ATOM 0 H ASP A 83 4.726 -1.992 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 83 6.262 -4.522 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.209 -2.567 1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.102 -4.072 1.870 1.00 0.00 H new ATOM 1270 N LEU A 84 4.352 -5.712 0.851 1.00 0.00 N ATOM 1271 CA LEU A 84 3.356 -6.450 1.621 1.00 0.00 C ATOM 1272 C LEU A 84 4.137 -7.288 2.621 1.00 0.00 C ATOM 1273 O LEU A 84 5.125 -7.927 2.255 1.00 0.00 O ATOM 1274 CB LEU A 84 2.439 -7.313 0.740 1.00 0.00 C ATOM 1275 CG LEU A 84 1.264 -6.624 0.021 1.00 0.00 C ATOM 1276 CD1 LEU A 84 1.502 -5.173 -0.377 1.00 0.00 C ATOM 1277 CD2 LEU A 84 0.913 -7.434 -1.225 1.00 0.00 C ATOM 0 H LEU A 84 4.909 -6.301 0.233 1.00 0.00 H new ATOM 0 HA LEU A 84 2.676 -5.762 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.059 -7.791 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.029 -8.107 1.364 1.00 0.00 H new ATOM 0 HG LEU A 84 0.448 -6.594 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.615 -4.782 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.708 -4.580 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.354 -5.117 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.082 -6.959 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.778 -7.478 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.628 -8.445 -0.933 1.00 0.00 H new ATOM 1289 N LYS A 85 3.729 -7.260 3.884 1.00 0.00 N ATOM 1290 CA LYS A 85 4.459 -7.828 5.020 1.00 0.00 C ATOM 1291 C LYS A 85 3.459 -8.436 5.993 1.00 0.00 C ATOM 1292 O LYS A 85 2.258 -8.185 5.889 1.00 0.00 O ATOM 1293 CB LYS A 85 5.262 -6.728 5.748 1.00 0.00 C ATOM 1294 CG LYS A 85 6.351 -6.026 4.917 1.00 0.00 C ATOM 1295 CD LYS A 85 7.585 -6.903 4.689 1.00 0.00 C ATOM 1296 CE LYS A 85 8.642 -6.074 3.950 1.00 0.00 C ATOM 1297 NZ LYS A 85 10.018 -6.513 4.245 1.00 0.00 N ATOM 0 H LYS A 85 2.848 -6.826 4.160 1.00 0.00 H new ATOM 0 HA LYS A 85 5.149 -8.589 4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.563 -5.972 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.732 -7.170 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.934 -5.736 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.652 -5.109 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.979 -7.257 5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.320 -7.785 4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.466 -6.142 2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.533 -5.025 4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.692 -5.920 3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.200 -6.424 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.135 -7.506 3.958 1.00 0.00 H new ATOM 1311 N ASN A 86 3.950 -9.194 6.977 1.00 0.00 N ATOM 1312 CA ASN A 86 3.161 -9.696 8.102 1.00 0.00 C ATOM 1313 C ASN A 86 1.871 -10.416 7.662 1.00 0.00 C ATOM 1314 O ASN A 86 0.854 -10.345 8.357 1.00 0.00 O ATOM 1315 CB ASN A 86 2.904 -8.561 9.114 1.00 0.00 C ATOM 1316 CG ASN A 86 4.139 -8.156 9.909 1.00 0.00 C ATOM 1317 OD1 ASN A 86 4.964 -8.992 10.276 1.00 0.00 O ATOM 1318 ND2 ASN A 86 4.289 -6.877 10.195 1.00 0.00 N ATOM 0 H ASN A 86 4.928 -9.481 7.013 1.00 0.00 H new ATOM 0 HA ASN A 86 3.746 -10.467 8.604 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.525 -7.690 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.124 -8.875 9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.100 -6.566 10.729 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.594 -6.199 9.882 1.00 0.00 H new ATOM 1325 N ALA A 87 1.883 -11.122 6.521 1.00 0.00 N ATOM 1326 CA ALA A 87 0.755 -11.933 6.064 1.00 0.00 C ATOM 1327 C ALA A 87 0.361 -12.991 7.100 1.00 0.00 C ATOM 1328 O ALA A 87 1.199 -13.418 7.900 1.00 0.00 O ATOM 1329 CB ALA A 87 1.088 -12.622 4.733 1.00 0.00 C ATOM 0 H ALA A 87 2.683 -11.143 5.889 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.089 -11.258 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.236 -13.220 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.309 -11.867 3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.956 -13.268 4.865 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.896 -13.442 7.024 1.00 0.00 N ATOM 1336 CA LYS A 88 -1.443 -14.537 7.819 1.00 0.00 C ATOM 1337 C LYS A 88 -1.400 -15.806 6.978 1.00 0.00 C ATOM 1338 O LYS A 88 -0.301 -16.228 6.640 1.00 0.00 O ATOM 1339 CB LYS A 88 -2.809 -14.104 8.376 1.00 0.00 C ATOM 1340 CG LYS A 88 -3.491 -15.132 9.288 1.00 0.00 C ATOM 1341 CD LYS A 88 -4.352 -14.476 10.374 1.00 0.00 C ATOM 1342 CE LYS A 88 -3.528 -14.138 11.619 1.00 0.00 C ATOM 1343 NZ LYS A 88 -3.048 -15.335 12.340 1.00 0.00 N ATOM 0 H LYS A 88 -1.580 -13.038 6.384 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.857 -14.777 8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.680 -13.176 8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.473 -13.885 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.114 -15.791 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.731 -15.755 9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.806 -13.567 9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.167 -15.146 10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.672 -13.530 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.133 -13.533 12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.803 -15.077 13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.796 -16.058 12.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.206 -15.714 11.861 1.00 0.00 H new ATOM 1357 N GLY A 89 -2.544 -16.342 6.544 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.695 -17.573 5.766 1.00 0.00 C ATOM 1359 C GLY A 89 -1.778 -17.720 4.547 1.00 0.00 C ATOM 1360 O GLY A 89 -1.627 -18.831 4.040 1.00 0.00 O ATOM 0 H GLY A 89 -3.443 -15.901 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.522 -18.421 6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.729 -17.639 5.427 1.00 0.00 H new ATOM 1364 N LEU A 90 -1.181 -16.633 4.047 1.00 0.00 N ATOM 1365 CA LEU A 90 -0.264 -16.682 2.911 1.00 0.00 C ATOM 1366 C LEU A 90 1.185 -16.761 3.357 1.00 0.00 C ATOM 1367 O LEU A 90 1.987 -17.245 2.583 1.00 0.00 O ATOM 1368 CB LEU A 90 -0.423 -15.458 1.995 1.00 0.00 C ATOM 1369 CG LEU A 90 -1.854 -15.280 1.476 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -1.991 -13.889 0.864 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -2.189 -16.399 0.505 1.00 0.00 C ATOM 0 H LEU A 90 -1.322 -15.695 4.421 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.523 -17.585 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.126 -14.562 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.256 -15.555 1.147 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.577 -15.348 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.007 -13.754 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.779 -13.135 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.286 -13.783 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.207 -16.270 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.494 -16.372 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.106 -17.359 1.014 1.00 0.00 H new ATOM 1383 N SER A 91 1.553 -16.255 4.535 1.00 0.00 N ATOM 1384 CA SER A 91 2.892 -16.318 5.118 1.00 0.00 C ATOM 1385 C SER A 91 4.051 -16.057 4.129 1.00 0.00 C ATOM 1386 O SER A 91 5.117 -16.664 4.259 1.00 0.00 O ATOM 1387 CB SER A 91 3.011 -17.658 5.859 1.00 0.00 C ATOM 1388 OG SER A 91 3.663 -17.488 7.100 1.00 0.00 O ATOM 0 H SER A 91 0.891 -15.766 5.138 1.00 0.00 H new ATOM 0 HA SER A 91 3.003 -15.489 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.019 -18.080 6.019 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.565 -18.370 5.247 1.00 0.00 H new ATOM 0 HG SER A 91 3.727 -18.353 7.557 1.00 0.00 H new ATOM 1394 N ASN A 92 3.860 -15.158 3.149 1.00 0.00 N ATOM 1395 CA ASN A 92 4.830 -14.697 2.137 1.00 0.00 C ATOM 1396 C ASN A 92 4.845 -15.570 0.872 1.00 0.00 C ATOM 1397 O ASN A 92 5.784 -15.508 0.084 1.00 0.00 O ATOM 1398 CB ASN A 92 6.237 -14.517 2.726 1.00 0.00 C ATOM 1399 CG ASN A 92 7.070 -13.445 2.052 1.00 0.00 C ATOM 1400 OD1 ASN A 92 6.803 -12.982 0.947 1.00 0.00 O ATOM 1401 ND2 ASN A 92 8.096 -12.972 2.737 1.00 0.00 N ATOM 0 H ASN A 92 2.956 -14.699 3.033 1.00 0.00 H new ATOM 0 HA ASN A 92 4.484 -13.713 1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.145 -14.275 3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.768 -15.466 2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.667 -12.222 2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.317 -13.357 3.655 1.00 0.00 H new ATOM 1408 N GLU A 93 3.807 -16.383 0.676 1.00 0.00 N ATOM 1409 CA GLU A 93 3.553 -17.161 -0.528 1.00 0.00 C ATOM 1410 C GLU A 93 2.928 -16.227 -1.580 1.00 0.00 C ATOM 1411 O GLU A 93 3.643 -15.409 -2.169 1.00 0.00 O ATOM 1412 CB GLU A 93 2.676 -18.380 -0.184 1.00 0.00 C ATOM 1413 CG GLU A 93 3.338 -19.376 0.782 1.00 0.00 C ATOM 1414 CD GLU A 93 2.316 -20.364 1.347 1.00 0.00 C ATOM 1415 OE1 GLU A 93 1.700 -21.133 0.571 1.00 0.00 O ATOM 1416 OE2 GLU A 93 2.152 -20.439 2.585 1.00 0.00 O ATOM 0 H GLU A 93 3.089 -16.521 1.388 1.00 0.00 H new ATOM 0 HA GLU A 93 4.474 -17.563 -0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.742 -18.030 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.419 -18.901 -1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.126 -19.921 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.812 -18.833 1.599 1.00 0.00 H new ATOM 1423 N SER A 94 1.593 -16.237 -1.766 1.00 0.00 N ATOM 1424 CA SER A 94 0.931 -15.480 -2.843 1.00 0.00 C ATOM 1425 C SER A 94 0.957 -13.961 -2.669 1.00 0.00 C ATOM 1426 O SER A 94 0.476 -13.174 -3.484 1.00 0.00 O ATOM 1427 CB SER A 94 -0.454 -16.018 -3.136 1.00 0.00 C ATOM 1428 OG SER A 94 -1.441 -15.544 -2.259 1.00 0.00 O ATOM 0 H SER A 94 0.949 -16.766 -1.178 1.00 0.00 H new ATOM 0 HA SER A 94 1.542 -15.649 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.729 -15.752 -4.156 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.429 -17.107 -3.087 1.00 0.00 H new ATOM 0 HG SER A 94 -1.886 -14.767 -2.657 1.00 0.00 H new ATOM 1434 N VAL A 95 1.569 -13.538 -1.582 1.00 0.00 N ATOM 1435 CA VAL A 95 2.024 -12.181 -1.331 1.00 0.00 C ATOM 1436 C VAL A 95 2.843 -11.699 -2.518 1.00 0.00 C ATOM 1437 O VAL A 95 2.585 -10.606 -3.010 1.00 0.00 O ATOM 1438 CB VAL A 95 2.838 -12.154 -0.025 1.00 0.00 C ATOM 1439 CG1 VAL A 95 3.069 -10.724 0.463 1.00 0.00 C ATOM 1440 CG2 VAL A 95 2.092 -12.953 1.049 1.00 0.00 C ATOM 0 H VAL A 95 1.775 -14.166 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 95 1.176 -11.507 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 95 3.813 -12.601 -0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.647 -10.744 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.617 -10.165 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.108 -10.242 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.664 -12.938 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.112 -12.507 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.969 -13.984 0.716 1.00 0.00 H new ATOM 1450 N ASN A 96 3.780 -12.520 -3.002 1.00 0.00 N ATOM 1451 CA ASN A 96 4.631 -12.158 -4.128 1.00 0.00 C ATOM 1452 C ASN A 96 3.808 -11.914 -5.382 1.00 0.00 C ATOM 1453 O ASN A 96 4.172 -11.042 -6.171 1.00 0.00 O ATOM 1454 CB ASN A 96 5.657 -13.255 -4.412 1.00 0.00 C ATOM 1455 CG ASN A 96 6.683 -13.360 -3.297 1.00 0.00 C ATOM 1456 OD1 ASN A 96 7.550 -12.508 -3.130 1.00 0.00 O ATOM 1457 ND2 ASN A 96 6.571 -14.381 -2.469 1.00 0.00 N ATOM 0 H ASN A 96 3.966 -13.449 -2.623 1.00 0.00 H new ATOM 0 HA ASN A 96 5.150 -11.239 -3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.146 -14.211 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.163 -13.046 -5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.210 -14.469 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.846 -15.082 -2.619 1.00 0.00 H new ATOM 1464 N LEU A 97 2.705 -12.649 -5.585 1.00 0.00 N ATOM 1465 CA LEU A 97 1.858 -12.415 -6.743 1.00 0.00 C ATOM 1466 C LEU A 97 1.243 -11.037 -6.624 1.00 0.00 C ATOM 1467 O LEU A 97 1.424 -10.189 -7.496 1.00 0.00 O ATOM 1468 CB LEU A 97 0.802 -13.509 -6.812 1.00 0.00 C ATOM 1469 CG LEU A 97 -0.173 -13.347 -7.989 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -0.790 -14.726 -8.113 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.279 -12.324 -7.723 1.00 0.00 C ATOM 0 H LEU A 97 2.389 -13.397 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 97 2.434 -12.449 -7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.297 -14.477 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.236 -13.516 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 97 0.342 -12.987 -8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.511 -14.730 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.008 -15.458 -8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.296 -14.983 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.932 -12.259 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.861 -12.635 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.833 -11.348 -7.530 1.00 0.00 H new ATOM 1483 N LEU A 98 0.507 -10.835 -5.534 1.00 0.00 N ATOM 1484 CA LEU A 98 -0.283 -9.642 -5.327 1.00 0.00 C ATOM 1485 C LEU A 98 0.610 -8.414 -5.348 1.00 0.00 C ATOM 1486 O LEU A 98 0.219 -7.391 -5.890 1.00 0.00 O ATOM 1487 CB LEU A 98 -0.990 -9.790 -3.979 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.815 -8.572 -3.540 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.903 -8.172 -4.535 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.455 -8.893 -2.184 1.00 0.00 C ATOM 0 H LEU A 98 0.447 -11.506 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.020 -9.518 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.648 -10.658 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.241 -9.997 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.136 -7.722 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.442 -7.304 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.446 -7.924 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.598 -9.002 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.047 -8.041 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.099 -9.766 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.674 -9.100 -1.453 1.00 0.00 H new ATOM 1502 N LYS A 99 1.820 -8.501 -4.795 1.00 0.00 N ATOM 1503 CA LYS A 99 2.754 -7.389 -4.790 1.00 0.00 C ATOM 1504 C LYS A 99 3.035 -6.937 -6.219 1.00 0.00 C ATOM 1505 O LYS A 99 2.860 -5.759 -6.509 1.00 0.00 O ATOM 1506 CB LYS A 99 4.023 -7.781 -4.024 1.00 0.00 C ATOM 1507 CG LYS A 99 4.570 -6.570 -3.269 1.00 0.00 C ATOM 1508 CD LYS A 99 5.775 -6.944 -2.409 1.00 0.00 C ATOM 1509 CE LYS A 99 6.927 -7.274 -3.347 1.00 0.00 C ATOM 1510 NZ LYS A 99 8.223 -7.377 -2.657 1.00 0.00 N ATOM 0 H LYS A 99 2.174 -9.343 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 99 2.320 -6.535 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.802 -8.587 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.775 -8.158 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.856 -5.795 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.787 -6.150 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.044 -6.120 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.542 -7.799 -1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.716 -8.216 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.992 -6.505 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.967 -7.603 -3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.443 -6.472 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.176 -8.129 -1.940 1.00 0.00 H new ATOM 1524 N SER A 100 3.388 -7.854 -7.121 1.00 0.00 N ATOM 1525 CA SER A 100 3.521 -7.549 -8.541 1.00 0.00 C ATOM 1526 C SER A 100 2.235 -6.969 -9.127 1.00 0.00 C ATOM 1527 O SER A 100 2.292 -6.024 -9.904 1.00 0.00 O ATOM 1528 CB SER A 100 3.912 -8.813 -9.303 1.00 0.00 C ATOM 1529 OG SER A 100 5.162 -9.263 -8.835 1.00 0.00 O ATOM 0 H SER A 100 3.589 -8.826 -6.886 1.00 0.00 H new ATOM 0 HA SER A 100 4.299 -6.793 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.157 -9.586 -9.162 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.962 -8.608 -10.372 1.00 0.00 H new ATOM 0 HG SER A 100 5.419 -10.076 -9.319 1.00 0.00 H new ATOM 1535 N HIS A 101 1.065 -7.505 -8.775 1.00 0.00 N ATOM 1536 CA HIS A 101 -0.195 -7.065 -9.369 1.00 0.00 C ATOM 1537 C HIS A 101 -0.506 -5.620 -8.959 1.00 0.00 C ATOM 1538 O HIS A 101 -0.956 -4.827 -9.780 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.313 -8.055 -9.003 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.271 -9.335 -9.814 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -0.153 -9.965 -10.292 1.00 0.00 N flip ATOM 1542 CD2 HIS A 101 -2.360 -10.079 -10.215 1.00 0.00 C flip ATOM 1543 CE1 HIS A 101 -0.560 -11.089 -11.012 1.00 0.00 C flip ATOM 1544 NE2 HIS A 101 -1.899 -11.131 -10.914 1.00 0.00 N flip ATOM 0 H HIS A 101 0.966 -8.245 -8.080 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.115 -7.061 -10.456 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.238 -8.302 -7.944 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.279 -7.572 -9.150 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.396 -9.857 -10.006 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.074 -11.785 -11.541 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -2.486 -11.862 -11.315 1.00 0.00 H new ATOM 1552 N LEU A 102 -0.192 -5.243 -7.721 1.00 0.00 N ATOM 1553 CA LEU A 102 -0.267 -3.885 -7.189 1.00 0.00 C ATOM 1554 C LEU A 102 0.775 -2.987 -7.833 1.00 0.00 C ATOM 1555 O LEU A 102 0.446 -1.870 -8.232 1.00 0.00 O ATOM 1556 CB LEU A 102 -0.129 -3.947 -5.668 1.00 0.00 C ATOM 1557 CG LEU A 102 -1.286 -4.701 -4.997 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -0.993 -4.819 -3.504 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.642 -4.037 -5.216 1.00 0.00 C ATOM 0 H LEU A 102 0.139 -5.912 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.233 -3.442 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.812 -4.433 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.082 -2.933 -5.270 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.352 -5.686 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.807 -5.353 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.061 -5.366 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.901 -3.823 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.417 -4.619 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.624 -3.028 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.856 -3.989 -6.284 1.00 0.00 H new ATOM 1571 N GLU A 103 2.014 -3.457 -7.949 1.00 0.00 N ATOM 1572 CA GLU A 103 3.081 -2.721 -8.609 1.00 0.00 C ATOM 1573 C GLU A 103 2.700 -2.432 -10.060 1.00 0.00 C ATOM 1574 O GLU A 103 2.973 -1.335 -10.541 1.00 0.00 O ATOM 1575 CB GLU A 103 4.403 -3.487 -8.489 1.00 0.00 C ATOM 1576 CG GLU A 103 4.984 -3.409 -7.064 1.00 0.00 C ATOM 1577 CD GLU A 103 6.154 -4.369 -6.827 1.00 0.00 C ATOM 1578 OE1 GLU A 103 6.538 -5.162 -7.723 1.00 0.00 O ATOM 1579 OE2 GLU A 103 6.792 -4.312 -5.753 1.00 0.00 O ATOM 0 H GLU A 103 2.305 -4.364 -7.585 1.00 0.00 H new ATOM 0 HA GLU A 103 3.223 -1.759 -8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.244 -4.531 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.124 -3.080 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.317 -2.389 -6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.194 -3.628 -6.346 1.00 0.00 H new ATOM 1586 N GLU A 104 2.018 -3.354 -10.742 1.00 0.00 N ATOM 1587 CA GLU A 104 1.576 -3.152 -12.104 1.00 0.00 C ATOM 1588 C GLU A 104 0.333 -2.263 -12.155 1.00 0.00 C ATOM 1589 O GLU A 104 0.287 -1.351 -12.980 1.00 0.00 O ATOM 1590 CB GLU A 104 1.395 -4.499 -12.820 1.00 0.00 C ATOM 1591 CG GLU A 104 2.741 -5.187 -13.127 1.00 0.00 C ATOM 1592 CD GLU A 104 3.697 -4.428 -14.066 1.00 0.00 C ATOM 1593 OE1 GLU A 104 3.402 -3.308 -14.562 1.00 0.00 O ATOM 1594 OE2 GLU A 104 4.826 -4.930 -14.260 1.00 0.00 O ATOM 0 H GLU A 104 1.761 -4.262 -10.355 1.00 0.00 H new ATOM 0 HA GLU A 104 2.350 -2.614 -12.651 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.786 -5.158 -12.201 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.849 -4.342 -13.751 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.257 -5.364 -12.184 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.534 -6.163 -13.566 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.645 -2.469 -11.271 1.00 0.00 N ATOM 1602 CA LEU A 105 -1.845 -1.641 -11.116 1.00 0.00 C ATOM 1603 C LEU A 105 -1.463 -0.177 -10.941 1.00 0.00 C ATOM 1604 O LEU A 105 -2.113 0.695 -11.509 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.650 -2.157 -9.911 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.869 -1.310 -9.492 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.932 -1.203 -10.589 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.498 -1.953 -8.250 1.00 0.00 C ATOM 0 H LEU A 105 -0.623 -3.250 -10.615 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.462 -1.710 -12.012 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.995 -3.166 -10.137 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.977 -2.234 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.516 -0.299 -9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.763 -0.595 -10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.496 -0.739 -11.474 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.294 -2.199 -10.843 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.363 -1.369 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.813 -2.969 -8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.766 -1.978 -7.443 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.378 0.099 -10.217 1.00 0.00 N ATOM 1621 CA ALA A 106 0.131 1.438 -10.034 1.00 0.00 C ATOM 1622 C ALA A 106 0.429 2.099 -11.384 1.00 0.00 C ATOM 1623 O ALA A 106 0.038 3.246 -11.585 1.00 0.00 O ATOM 1624 CB ALA A 106 1.357 1.367 -9.121 1.00 0.00 C ATOM 0 H ALA A 106 0.171 -0.616 -9.740 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.618 2.069 -9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.757 2.370 -8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.070 0.942 -8.159 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.118 0.738 -9.583 1.00 0.00 H new ATOM 1630 N LYS A 107 1.061 1.393 -12.337 1.00 0.00 N ATOM 1631 CA LYS A 107 1.363 1.978 -13.653 1.00 0.00 C ATOM 1632 C LYS A 107 0.092 2.288 -14.442 1.00 0.00 C ATOM 1633 O LYS A 107 0.177 3.053 -15.395 1.00 0.00 O ATOM 1634 CB LYS A 107 2.249 1.088 -14.535 1.00 0.00 C ATOM 1635 CG LYS A 107 3.723 1.031 -14.126 1.00 0.00 C ATOM 1636 CD LYS A 107 3.952 0.031 -12.993 1.00 0.00 C ATOM 1637 CE LYS A 107 5.349 -0.580 -12.968 1.00 0.00 C ATOM 1638 NZ LYS A 107 5.592 -1.496 -14.106 1.00 0.00 N ATOM 0 H LYS A 107 1.369 0.427 -12.222 1.00 0.00 H new ATOM 0 HA LYS A 107 1.907 2.894 -13.420 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.845 0.076 -14.524 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.187 1.445 -15.563 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.330 0.752 -14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.053 2.021 -13.811 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.769 0.530 -12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.219 -0.771 -13.078 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.091 0.218 -12.985 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.487 -1.124 -12.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.446 -2.060 -13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.776 -2.131 -14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.724 -0.942 -14.976 1.00 0.00 H new ATOM 1652 N LYS A 108 -1.044 1.679 -14.102 1.00 0.00 N ATOM 1653 CA LYS A 108 -2.327 1.855 -14.782 1.00 0.00 C ATOM 1654 C LYS A 108 -3.205 2.897 -14.086 1.00 0.00 C ATOM 1655 O LYS A 108 -4.351 3.097 -14.490 1.00 0.00 O ATOM 1656 CB LYS A 108 -3.075 0.523 -14.769 1.00 0.00 C ATOM 1657 CG LYS A 108 -2.275 -0.665 -15.329 1.00 0.00 C ATOM 1658 CD LYS A 108 -3.124 -1.941 -15.392 1.00 0.00 C ATOM 1659 CE LYS A 108 -2.297 -3.234 -15.319 1.00 0.00 C ATOM 1660 NZ LYS A 108 -1.279 -3.353 -16.387 1.00 0.00 N ATOM 0 H LYS A 108 -1.098 1.028 -13.319 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.123 2.195 -15.797 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.368 0.296 -13.744 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.993 0.631 -15.347 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.911 -0.421 -16.327 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.399 -0.841 -14.704 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.841 -1.931 -14.571 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.699 -1.939 -16.318 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.801 -3.283 -14.350 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.971 -4.089 -15.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.761 -4.248 -16.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.747 -3.338 -17.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.613 -2.557 -16.322 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.716 3.461 -12.987 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.381 4.428 -12.128 1.00 0.00 C ATOM 1676 C GLN A 109 -2.494 5.675 -11.917 1.00 0.00 C ATOM 1677 O GLN A 109 -2.759 6.486 -11.026 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.722 3.715 -10.802 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.966 2.817 -10.894 1.00 0.00 C ATOM 1680 CD GLN A 109 -6.225 3.623 -10.566 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -6.965 4.061 -11.443 1.00 0.00 O ATOM 1682 NE2 GLN A 109 -6.446 3.918 -9.297 1.00 0.00 N ATOM 0 H GLN A 109 -1.779 3.237 -12.652 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.301 4.791 -12.587 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.869 3.111 -10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -3.880 4.464 -10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -5.046 2.396 -11.896 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.871 1.980 -10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -5.828 3.551 -8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.235 4.512 -9.041 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.389 5.811 -12.655 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.365 6.810 -12.379 1.00 0.00 C ATOM 1693 C CYS A 110 -0.843 8.199 -12.823 1.00 0.00 C ATOM 1694 O CYS A 110 -1.433 8.345 -13.895 1.00 0.00 O ATOM 1695 CB CYS A 110 0.942 6.380 -13.062 1.00 0.00 C ATOM 1696 SG CYS A 110 2.358 7.219 -12.297 1.00 0.00 S ATOM 0 H CYS A 110 -1.183 5.226 -13.464 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.175 6.880 -11.308 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.064 5.300 -12.982 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.900 6.618 -14.125 1.00 0.00 H new ATOM 0 HG CYS A 110 1.930 8.107 -11.450 1.00 0.00 H new ATOM 1702 N GLY A 111 -0.556 9.232 -12.025 1.00 0.00 N ATOM 1703 CA GLY A 111 -0.972 10.615 -12.265 1.00 0.00 C ATOM 1704 C GLY A 111 -1.930 11.125 -11.189 1.00 0.00 C ATOM 1705 O GLY A 111 -2.012 12.333 -10.955 1.00 0.00 O ATOM 0 H GLY A 111 -0.012 9.125 -11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.092 11.257 -12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.454 10.684 -13.240 1.00 0.00 H new ATOM 1709 N GLU A 112 -2.610 10.223 -10.477 1.00 0.00 N ATOM 1710 CA GLU A 112 -3.388 10.548 -9.293 1.00 0.00 C ATOM 1711 C GLU A 112 -3.235 9.440 -8.249 1.00 0.00 C ATOM 1712 O GLU A 112 -2.434 8.509 -8.387 1.00 0.00 O ATOM 1713 CB GLU A 112 -4.849 10.873 -9.647 1.00 0.00 C ATOM 1714 CG GLU A 112 -5.675 9.639 -10.009 1.00 0.00 C ATOM 1715 CD GLU A 112 -7.061 10.022 -10.494 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -7.214 10.503 -11.635 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -8.034 9.845 -9.724 1.00 0.00 O ATOM 0 H GLU A 112 -2.632 9.232 -10.716 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.998 11.461 -8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.316 11.378 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.866 11.571 -10.484 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.161 9.070 -10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.760 8.988 -9.139 1.00 0.00 H new ATOM 1724 N VAL A 113 -3.935 9.626 -7.140 1.00 0.00 N ATOM 1725 CA VAL A 113 -3.813 8.825 -5.945 1.00 0.00 C ATOM 1726 C VAL A 113 -4.429 7.437 -6.162 1.00 0.00 C ATOM 1727 O VAL A 113 -5.631 7.295 -6.381 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.387 9.610 -4.751 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -3.475 10.810 -4.437 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -5.817 10.128 -4.985 1.00 0.00 C ATOM 0 H VAL A 113 -4.628 10.369 -7.051 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.767 8.630 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.428 8.910 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.882 11.365 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.476 10.452 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.421 11.463 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.156 10.671 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.826 10.795 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.483 9.286 -5.171 1.00 0.00 H new ATOM 1740 N MET A 114 -3.595 6.400 -6.083 1.00 0.00 N ATOM 1741 CA MET A 114 -3.919 5.032 -6.489 1.00 0.00 C ATOM 1742 C MET A 114 -4.064 4.082 -5.296 1.00 0.00 C ATOM 1743 O MET A 114 -4.483 2.944 -5.479 1.00 0.00 O ATOM 1744 CB MET A 114 -2.816 4.540 -7.434 1.00 0.00 C ATOM 1745 CG MET A 114 -1.457 4.450 -6.732 1.00 0.00 C ATOM 1746 SD MET A 114 -0.035 4.199 -7.814 1.00 0.00 S ATOM 1747 CE MET A 114 -0.055 5.707 -8.820 1.00 0.00 C ATOM 0 H MET A 114 -2.645 6.492 -5.723 1.00 0.00 H new ATOM 0 HA MET A 114 -4.886 5.039 -6.992 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.086 3.560 -7.828 1.00 0.00 H new ATOM 0 HB3 MET A 114 -2.740 5.216 -8.286 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.301 5.367 -6.163 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.493 3.631 -6.013 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.906 5.823 -9.321 1.00 0.00 H new ATOM 0 HE2 MET A 114 -0.847 5.637 -9.565 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.236 6.570 -8.179 1.00 0.00 H new ATOM 1757 N ILE A 115 -3.681 4.504 -4.086 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.549 3.653 -2.901 1.00 0.00 C ATOM 1759 C ILE A 115 -4.890 3.014 -2.548 1.00 0.00 C ATOM 1760 O ILE A 115 -4.914 1.846 -2.172 1.00 0.00 O ATOM 1761 CB ILE A 115 -2.996 4.458 -1.705 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -1.596 5.040 -2.003 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -2.904 3.568 -0.451 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -1.322 6.302 -1.173 1.00 0.00 C ATOM 0 H ILE A 115 -3.447 5.479 -3.900 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.839 2.858 -3.130 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.689 5.281 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.836 4.289 -1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.518 5.277 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.512 4.152 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -3.896 3.194 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -2.239 2.728 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.329 6.684 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -2.068 7.061 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.375 6.058 -0.112 1.00 0.00 H new ATOM 1776 N PHE A 116 -5.990 3.754 -2.683 1.00 0.00 N ATOM 1777 CA PHE A 116 -7.335 3.252 -2.436 1.00 0.00 C ATOM 1778 C PHE A 116 -7.607 2.050 -3.351 1.00 0.00 C ATOM 1779 O PHE A 116 -8.114 1.029 -2.889 1.00 0.00 O ATOM 1780 CB PHE A 116 -8.346 4.383 -2.675 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.630 5.314 -1.506 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -7.603 6.051 -0.884 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -9.960 5.517 -1.091 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -7.909 6.988 0.120 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -10.263 6.440 -0.080 1.00 0.00 C ATOM 1786 CZ PHE A 116 -9.238 7.178 0.530 1.00 0.00 C ATOM 0 H PHE A 116 -5.968 4.732 -2.971 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.433 2.918 -1.403 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -7.988 4.986 -3.509 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.289 3.934 -2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -6.576 5.896 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -10.756 4.955 -1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.118 7.564 0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -11.288 6.583 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.470 7.888 1.310 1.00 0.00 H new ATOM 1796 N GLU A 117 -7.196 2.126 -4.623 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.317 1.029 -5.573 1.00 0.00 C ATOM 1798 C GLU A 117 -6.464 -0.142 -5.093 1.00 0.00 C ATOM 1799 O GLU A 117 -6.919 -1.279 -5.123 1.00 0.00 O ATOM 1800 CB GLU A 117 -6.851 1.473 -6.974 1.00 0.00 C ATOM 1801 CG GLU A 117 -7.817 1.168 -8.125 1.00 0.00 C ATOM 1802 CD GLU A 117 -8.464 -0.219 -8.114 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -7.845 -1.206 -8.567 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -9.659 -0.287 -7.738 1.00 0.00 O ATOM 0 H GLU A 117 -6.767 2.962 -5.019 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.362 0.726 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.669 2.547 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.897 0.992 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.610 1.916 -8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.279 1.288 -9.065 1.00 0.00 H new ATOM 1811 N LEU A 118 -5.233 0.128 -4.634 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.313 -0.916 -4.194 1.00 0.00 C ATOM 1813 C LEU A 118 -4.936 -1.680 -3.028 1.00 0.00 C ATOM 1814 O LEU A 118 -5.019 -2.906 -3.051 1.00 0.00 O ATOM 1815 CB LEU A 118 -2.923 -0.374 -3.784 1.00 0.00 C ATOM 1816 CG LEU A 118 -2.204 0.562 -4.776 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.728 0.675 -4.391 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.322 0.173 -6.248 1.00 0.00 C ATOM 0 H LEU A 118 -4.855 1.072 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.149 -1.577 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.035 0.158 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.272 -1.227 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.717 1.520 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.219 1.337 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.645 1.081 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.267 -0.312 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.782 0.896 -6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.896 -0.819 -6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.372 0.165 -6.539 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.377 -0.944 -2.009 1.00 0.00 N ATOM 1831 CA ALA A 119 -6.031 -1.461 -0.826 1.00 0.00 C ATOM 1832 C ALA A 119 -7.274 -2.279 -1.190 1.00 0.00 C ATOM 1833 O ALA A 119 -7.432 -3.401 -0.705 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.357 -0.288 0.097 1.00 0.00 C ATOM 0 H ALA A 119 -5.280 0.071 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.366 -2.147 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -6.851 -0.658 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.435 0.224 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.017 0.409 -0.419 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.145 -1.765 -2.060 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.275 -2.514 -2.591 1.00 0.00 C ATOM 1842 C HIS A 120 -8.813 -3.808 -3.260 1.00 0.00 C ATOM 1843 O HIS A 120 -9.348 -4.871 -2.964 1.00 0.00 O ATOM 1844 CB HIS A 120 -10.047 -1.647 -3.590 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.225 -0.901 -3.023 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.293 -0.458 -3.766 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -11.455 -0.568 -1.714 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.156 0.131 -2.923 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -12.694 0.076 -1.662 1.00 0.00 N ATOM 0 H HIS A 120 -8.082 -0.811 -2.415 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.931 -2.781 -1.763 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.357 -0.925 -4.027 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.398 -2.284 -4.402 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.801 -0.766 -0.878 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.091 0.585 -3.217 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -13.158 0.435 -0.828 1.00 0.00 H new ATOM 1857 N HIS A 121 -7.832 -3.736 -4.156 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.358 -4.867 -4.936 1.00 0.00 C ATOM 1859 C HIS A 121 -6.774 -5.958 -4.027 1.00 0.00 C ATOM 1860 O HIS A 121 -6.968 -7.137 -4.306 1.00 0.00 O ATOM 1861 CB HIS A 121 -6.362 -4.346 -5.984 1.00 0.00 C ATOM 1862 CG HIS A 121 -5.984 -5.327 -7.066 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -6.357 -5.242 -8.389 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -5.147 -6.403 -6.948 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -5.779 -6.255 -9.050 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -5.034 -7.001 -8.213 1.00 0.00 N ATOM 0 H HIS A 121 -7.336 -2.869 -4.362 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.184 -5.345 -5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.787 -3.459 -6.454 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.454 -4.030 -5.471 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.660 -6.733 -6.043 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.895 -6.446 -10.107 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -4.495 -7.834 -8.450 1.00 0.00 H new ATOM 1874 N VAL A 122 -6.130 -5.604 -2.909 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.750 -6.563 -1.869 1.00 0.00 C ATOM 1876 C VAL A 122 -7.003 -7.237 -1.316 1.00 0.00 C ATOM 1877 O VAL A 122 -7.042 -8.464 -1.260 1.00 0.00 O ATOM 1878 CB VAL A 122 -4.961 -5.866 -0.743 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.678 -6.794 0.449 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.622 -5.288 -1.206 1.00 0.00 C ATOM 0 H VAL A 122 -5.858 -4.643 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.101 -7.322 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.618 -5.053 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.120 -6.249 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.621 -7.143 0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.092 -7.650 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.120 -4.812 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.995 -6.090 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.796 -4.550 -1.989 1.00 0.00 H new ATOM 1890 N GLN A 123 -8.016 -6.481 -0.886 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.217 -7.059 -0.287 1.00 0.00 C ATOM 1892 C GLN A 123 -9.914 -8.013 -1.269 1.00 0.00 C ATOM 1893 O GLN A 123 -10.319 -9.115 -0.880 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.154 -5.940 0.210 1.00 0.00 C ATOM 1895 CG GLN A 123 -9.564 -5.121 1.369 1.00 0.00 C ATOM 1896 CD GLN A 123 -10.593 -4.120 1.884 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -11.400 -4.440 2.754 1.00 0.00 O ATOM 1898 NE2 GLN A 123 -10.614 -2.917 1.342 1.00 0.00 N ATOM 0 H GLN A 123 -8.026 -5.463 -0.943 1.00 0.00 H new ATOM 0 HA GLN A 123 -8.931 -7.656 0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -10.381 -5.271 -0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.098 -6.382 0.530 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.258 -5.787 2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.670 -4.595 1.034 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.936 -2.670 0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.309 -2.234 1.644 1.00 0.00 H new ATOM 1907 N SER A 124 -9.973 -7.635 -2.549 1.00 0.00 N ATOM 1908 CA SER A 124 -10.446 -8.487 -3.626 1.00 0.00 C ATOM 1909 C SER A 124 -9.595 -9.753 -3.744 1.00 0.00 C ATOM 1910 O SER A 124 -10.158 -10.847 -3.731 1.00 0.00 O ATOM 1911 CB SER A 124 -10.465 -7.706 -4.945 1.00 0.00 C ATOM 1912 OG SER A 124 -11.198 -6.503 -4.808 1.00 0.00 O ATOM 0 H SER A 124 -9.686 -6.708 -2.864 1.00 0.00 H new ATOM 0 HA SER A 124 -11.464 -8.802 -3.396 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.444 -7.482 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.908 -8.319 -5.729 1.00 0.00 H new ATOM 0 HG SER A 124 -10.658 -5.844 -4.323 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.265 -9.646 -3.811 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.382 -10.771 -4.040 1.00 0.00 C ATOM 1920 C PHE A 125 -7.514 -11.757 -2.890 1.00 0.00 C ATOM 1921 O PHE A 125 -7.611 -12.968 -3.090 1.00 0.00 O ATOM 1922 CB PHE A 125 -5.948 -10.241 -4.102 1.00 0.00 C ATOM 1923 CG PHE A 125 -4.943 -11.361 -4.148 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.580 -11.946 -5.368 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.473 -11.891 -2.939 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.721 -13.057 -5.384 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.639 -13.023 -2.947 1.00 0.00 C ATOM 1928 CZ PHE A 125 -3.245 -13.586 -4.175 1.00 0.00 C ATOM 0 H PHE A 125 -7.774 -8.758 -3.705 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.638 -11.277 -4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -5.831 -9.610 -4.983 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -5.754 -9.613 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.960 -11.543 -6.295 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.751 -11.431 -2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.428 -13.502 -6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.303 -13.457 -2.017 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.572 -14.431 -4.187 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.507 -11.215 -1.669 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.579 -11.997 -0.462 1.00 0.00 C ATOM 1940 C LEU A 126 -8.863 -12.813 -0.518 1.00 0.00 C ATOM 1941 O LEU A 126 -8.801 -14.023 -0.332 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.533 -11.108 0.792 1.00 0.00 C ATOM 1943 CG LEU A 126 -6.164 -10.487 1.120 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -6.379 -9.446 2.222 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -5.141 -11.528 1.593 1.00 0.00 C ATOM 0 H LEU A 126 -7.450 -10.210 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.716 -12.659 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.257 -10.302 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.857 -11.701 1.647 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.759 -10.039 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.425 -8.986 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.069 -8.679 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.797 -9.931 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.194 -11.035 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.510 -12.018 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -4.991 -12.272 0.811 1.00 0.00 H new ATOM 1957 N SER A 127 -10.008 -12.172 -0.804 1.00 0.00 N ATOM 1958 CA SER A 127 -11.289 -12.865 -0.881 1.00 0.00 C ATOM 1959 C SER A 127 -11.240 -14.026 -1.873 1.00 0.00 C ATOM 1960 O SER A 127 -11.782 -15.095 -1.619 1.00 0.00 O ATOM 1961 CB SER A 127 -12.433 -11.907 -1.218 1.00 0.00 C ATOM 1962 OG SER A 127 -12.416 -11.371 -2.527 1.00 0.00 O ATOM 0 H SER A 127 -10.065 -11.170 -0.985 1.00 0.00 H new ATOM 0 HA SER A 127 -11.486 -13.279 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.377 -12.432 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.413 -11.082 -0.506 1.00 0.00 H new ATOM 0 HG SER A 127 -11.493 -11.165 -2.784 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.567 -13.818 -2.997 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.479 -14.740 -4.112 1.00 0.00 C ATOM 1970 C GLU A 128 -9.737 -16.037 -3.779 1.00 0.00 C ATOM 1971 O GLU A 128 -10.148 -17.102 -4.240 1.00 0.00 O ATOM 1972 CB GLU A 128 -9.767 -14.018 -5.258 1.00 0.00 C ATOM 1973 CG GLU A 128 -10.593 -13.999 -6.547 1.00 0.00 C ATOM 1974 CD GLU A 128 -10.201 -15.098 -7.532 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -10.439 -16.295 -7.233 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -9.724 -14.739 -8.632 1.00 0.00 O ATOM 0 H GLU A 128 -10.043 -12.958 -3.160 1.00 0.00 H new ATOM 0 HA GLU A 128 -11.492 -15.037 -4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -9.548 -12.994 -4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -8.811 -14.505 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.648 -14.106 -6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -10.477 -13.029 -7.030 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.655 -15.968 -2.999 1.00 0.00 N ATOM 1984 CA HIS A 129 -8.027 -17.169 -2.450 1.00 0.00 C ATOM 1985 C HIS A 129 -8.757 -17.658 -1.204 1.00 0.00 C ATOM 1986 O HIS A 129 -8.540 -18.791 -0.782 1.00 0.00 O ATOM 1987 CB HIS A 129 -6.537 -16.929 -2.165 1.00 0.00 C ATOM 1988 CG HIS A 129 -5.727 -17.072 -3.424 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -5.343 -16.075 -4.279 1.00 0.00 N flip ATOM 1990 CD2 HIS A 129 -5.341 -18.273 -3.976 1.00 0.00 C flip ATOM 1991 CE1 HIS A 129 -4.713 -16.685 -5.377 1.00 0.00 C flip ATOM 1992 NE2 HIS A 129 -4.750 -18.012 -5.152 1.00 0.00 N flip ATOM 0 H HIS A 129 -8.198 -15.095 -2.735 1.00 0.00 H new ATOM 0 HA HIS A 129 -8.101 -17.955 -3.201 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -6.397 -15.932 -1.748 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -6.185 -17.640 -1.417 1.00 0.00 H new ATOM 0 HD1 HIS A 129 -5.487 -15.074 -4.144 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -5.488 -19.250 -3.540 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -4.283 -16.187 -6.234 1.00 0.00 H new ATOM 2000 N ASN A 130 -9.585 -16.816 -0.591 1.00 0.00 N ATOM 2001 CA ASN A 130 -10.234 -17.129 0.683 1.00 0.00 C ATOM 2002 C ASN A 130 -11.503 -17.948 0.496 1.00 0.00 C ATOM 2003 O ASN A 130 -11.717 -18.916 1.228 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.507 -15.847 1.473 1.00 0.00 C ATOM 2005 CG ASN A 130 -11.307 -16.048 2.753 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -12.532 -16.067 2.711 1.00 0.00 O ATOM 2007 ND2 ASN A 130 -10.650 -16.080 3.903 1.00 0.00 N ATOM 0 H ASN A 130 -9.826 -15.897 -0.962 1.00 0.00 H new ATOM 0 HA ASN A 130 -9.547 -17.749 1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -9.554 -15.382 1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.043 -15.148 0.831 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -11.164 -16.122 4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -9.630 -16.063 3.908 1.00 0.00 H new